Class Hierarchy

• schrodinger.application.desmond.enhsamp.ASLObject
• urllib2.AbstractBasicAuthHandler
  • urllib2.ProxyBasicAuthHandler
    • schrodinger.utils.urllib.ProxyBasicAuthHandler
• urllib2.AbstractDigestAuthHandler
  • urllib2.ProxyDigestAuthHandler
    • schrodinger.utils.urllib.ProxyDigestAuthHandler
• schrodinger.analysis.enrichment.ActiveDecoyFingerprintAnalyzer: Convert a structure file of screen results (or inputs) into active and decoy fingerprints and report similarity metrics between the fingerprint sets.
• schrodinger.application.combiglide.packages.chutils.Adduct: An instance stores required information about an adduct molecule and supplies APIs for later retrieval.
• schrodinger.job.app.App: A class to handle all aspects of job setup and running.
• schrodinger.application.combiglide.packages.chutils.ApplyJoiningRules: APIs to determine what adduct rule matches are required for each substrate attachment point and what rule matches are exhibited for each adduct attachment point.
• schrodinger.structutils.assignbondorders.AssignBondOrders
• schrodinger.application.desmond.fep_mapping.AtomMappingData: Class to store intermediary and final data structures for atom mapping
• schrodinger.protein._reliability.Packing.AtomType: data structure to hold an atom type
• schrodinger.application.combiglide.packages.chutils.Attachment: Store information about an attachment point, which is a heavy atom on a structure.
  • schrodinger.application.combiglide.packages.chutils.AdductAttachment
  • schrodinger.application.combiglide.packages.chutils.SubstrateAttachment
• schrodinger.pipeline.pipeutils.BackwardsReader: Read a file line by line, backwards.
• schrodinger.application.desmond.fepdiff.BaseBlockProperty
  • schrodinger.application.desmond.fepdiff.FEPIOBlockProperty
    • schrodinger.application.desmond.fepdiff.FEPIOAtommapBlockProperty
  • schrodinger.application.desmond.fepdiff.FFIOBlockProperty
    • schrodinger.application.desmond.fepdiff.ConstraintBlockProperty
    • schrodinger.application.desmond.fepdiff.SiteBlockProperty
    • schrodinger.application.desmond.fepdiff.VdwtypeBlockProperty
• urllib2.BaseHandler
  • urllib2.AbstractHTTPHandler
    • urllib2.HTTPHandler
      • schrodinger.utils.urllib.MyHTTPHandler
    • urllib2.HTTPSHandler
      • schrodinger.utils.urllib.HTTPSHandler
        • schrodinger.utils.urllib.MyHTTPSHandler
  • urllib2.ProxyBasicAuthHandler
    • schrodinger.utils.urllib.ProxyBasicAuthHandler
  • urllib2.ProxyDigestAuthHandler
    • schrodinger.utils.urllib.ProxyDigestAuthHandler
  • urllib2.ProxyHandler
    • schrodinger.utils.urllib.ProxyHandler: A ProxyHandler subclass that loads its proxy configuration from 'web_proxy.json' file in the Schrodinger app data directory.
• SocketServer.BaseRequestHandler: Base class for request handler classes.
  • SocketServer.StreamRequestHandler: Define self.rfile and self.wfile for stream sockets.
    • BaseHTTPServer.BaseHTTPRequestHandler: HTTP request handler base class.
      • schrodinger.application.glide.http_server.GlideHTTPHandler: This class, derived from BaseHTTPRequestHandler, implements the do_GET and do_POST methods.
• SocketServer.BaseServer: Base class for server classes.
  • SocketServer.TCPServer: Base class for various socket-based server classes.
    • BaseHTTPServer.HTTPServer
      • schrodinger.application.glide.http_server.GlideHTTPServer: This is a variant on HTTPServer that doesn't shut down requests immediately, but keeps them around until glide_shutdown_request is called.
• schrodinger.structutils.sitealign.BindingSiteAligner: Align structures by matching binding site atoms.
• schrodinger.application.combiglide.packages.chutils.BitArray: Minimal bit-array class
• schrodinger.application.desmond.fepdiff.BlockDiffer
  • schrodinger.application.desmond.fepdiff.DihedmapBlockDiffer: A class to compare the difference of dihedral block of two FFIOStructure instance.
  • schrodinger.application.desmond.fepdiff.DihedralBlockDiffer: A class to compare the difference of dihedral block of two FFIOStructure instance.
• schrodinger.application.desmond.cns_io.CNSData
• schrodinger.application.desmond.meta.CV: base class for collective variable
  • schrodinger.application.desmond.meta.CVAngle: A class to define angle collective variable.
  • schrodinger.application.desmond.meta.CVDihedral: A class to define dihedral collective variable.
  • schrodinger.application.desmond.meta.CVDist: distance collective variable
  • schrodinger.application.desmond.meta.CVrgyr: Radius of Gyration Collective Variable
  • schrodinger.application.desmond.meta.CVrgyr_mass: Radius of Gyration Collective Variable
  • schrodinger.application.desmond.meta.CVrmsd: rmsd collective variable
  • schrodinger.application.desmond.meta.CVrmsd_symm: rmsd collective variable
  • schrodinger.application.desmond.meta.CVwhim: whim collective variable
  • schrodinger.application.desmond.meta.CVzdist: This collective variable reports an absolute Z-distance.
  • schrodinger.application.desmond.meta.CVzdist0: This collective variable reports an absolute Z-distance from the simulation box origin (Z==0).
• schrodinger.protein.captermini.CapTermini
• schrodinger.application.combiglide.packages.chutils.ChUtils: Utilities generally useful in core-hopping
• schrodinger.application.canvas.utils.ChmCSVTools
• schrodinger.application.macromodel.utils.CluUtil: A class for writing and running Cluster clu files.
• schrodinger.application.desmond.meta.CmsModel
• schrodinger.application.macromodel.utils.ComUtil: A class for writing MacroModel com files.
  • schrodinger.application.macromodel.utils.ComUtilAppSci: Subclass of ComUtil with defaults that are closer to the current Maestro version.
    • schrodinger.application.macromodel.utils.ComUtil_2010: This class will be deprecated in the next release.
• schrodinger.application.glide.poseviewconvert.Complex: A helper class to split a receptor-ligand complex structure into ligand, and receptor structure components, and write the structure components to new files.
• schrodinger.ui.qt.config_dialog.ConfigDialog: Toplevel Qt widget that mimics the Maestro Start dialog.
  • schrodinger.application.desmond.gui.DesmondBasicConfigDialog: This is identical to Appframework.ConfigDialog except adds platform check for localhost jobs
  • schrodinger.application.desmond.gui.DesmondGuiConfigDialog: This Config Dialog supports enumerating GPGPU's and showing them to the user.
    • schrodinger.application.desmond.gui.DesmondRestGuiConfigDialog
    • schrodinger.application.desmond.fep_gui.FEPConfigDialog
      • schrodinger.application.desmond.fep_gui.RESTFEPConfigDialog
        • schrodinger.application.desmond.fep_gui.GPUAndCPURESTFEPConfigDialog: This subclass of RESTFEPConfigDialog lists both CPU and GPU Hosts for the SubJob Hosts menu.
    • schrodinger.application.matsci.guibase.PerStrucConfigDialog: Dialog for configuring jobs that can have CPUs/GPUs per input structure specified.
    • schrodinger.application.desmond.gui.SingleGpuDesmondGuiConfigDialog
      • schrodinger.application.matsci.guibase.PerStrucSingleGpuConfigDialog: Class to configure jobs that can use a single GPU per input structure.
• schrodinger.application.bioluminate.protein.Consensus: Access the atoms, residues, and molecules (or just their indices) that are considered to be consensus objects for a template structure and query structure.
• schrodinger.application.glide.glide.Constraint: Class defining a docking constraint in the receptor.
  • schrodinger.application.glide.glide.AcceptorConstraint: H-Bond constraint that was specified as a *receptor* acceptor atom.
  • schrodinger.application.glide.glide.DonorConstraint: H-Bond constraint that was specified as a *receptor* donor atom.
  • schrodinger.application.glide.glide.HydrophobicConstraint
  • schrodinger.application.glide.glide.MetCoordConstraint
  • schrodinger.application.glide.glide.MetalConstraint: This constraint was specified as a metal receptor atom.
  • schrodinger.application.glide.glide.NOEConstraint
  • schrodinger.application.glide.glide.PositionalConstraint
• schrodinger.application.jaguar.gui.tabs.optimization_tab.ConstraintCoordinateColumns: Constants for table columns.
• schrodinger.application.glide.glide.ConstraintGroup: Class defining a constraint group.
• schrodinger.application.desmond.mdpose.mdpose_analysis.ContactCmd
• schrodinger.test.squish.maestro.exception_handling.ContinueIfFails
• schrodinger.application.combiglide.packages.core_classifier.CoreClassifier: Partition to generate structural partitions for a structure containing a single ring system.
• schrodinger.utils.ligfilter.Criterion: A base class for a structure matching criterion.
  • schrodinger.utils.ligfilter.AslCriterion: This criterion considers a Structure as matching if the stored ASL expresson match returns at least one atom.
  • schrodinger.utils.ligfilter.PredefinedCriterion: A structure matching criterion that acts on the value of a predefined function applied to the structure.
  • schrodinger.utils.ligfilter.PropertyCriterion: A structure matching criterion that acts on the presence or value of a specific structure property.
  • schrodinger.utils.ligfilter.SmartsCriterion: A structure matching criterion that looks for a match to a Definition instance, which is comprised of a collection of SMARTS patterns.
• schrodinger.utils.ligfilter.CriterionParser: A class for parsing a general property or predefined matching criterion.
• schrodinger.application.mcpro.modelsystemwizard.ModelSystem.CtObj: This class is created to group together all relevant data about a structure and to provide functions for displaying the structure on Maestro workspace easily.
• schrodinger.application.canvas.r_group_dee.DEE_Backtracking
• schrodinger.application.canvas.r_group_dee.DEE_EnergyMatrix
• schrodinger.application.canvas.r_group.Data: Class to store intermediary and finals data structures for R-group analysis.
• schrodinger.utils.ligfilter.Definition: A class that defines a collection of SMARTS patterns for matching against.
• schrodinger.utils.ligfilter.DefinitionParser: A class for parsing a (possibly multi-line) specification of a Definition.
• schrodinger.application.desmond.system_builder_util.DesmondBoxSize
• schrodinger.trajectory.desmondsimulation.DesmondSimulation
  • schrodinger.trajectory.desmondsimulation.FepSimulation: A class for handling Fep Simulation
• csv.Dialect: Describe an Excel dialect.
  • csv.excel: Describe the usual properties of Excel-generated CSV files.
    • schrodinger.application.canvas.utils.chm_bluebird
    • schrodinger.application.canvas.utils.chm_excel
• UserDict.DictMixin
  • schrodinger.infra.mmim.MMIMDict: A class for setting and getting MMIM keyword values.
  • schrodinger.infra.mmkv.MMKVSettings: A class for setting and getting MMKV keyword values.
  • schrodinger.application.desmond.ffiostructure._ElementProperty: A dictionary of other_block element based properties.
    • schrodinger.application.desmond.ffiostructure._FEPIOElementProperty: hash(x)
    • schrodinger.application.desmond.ffiostructure._FFIOElementProperty: hash(x)
  • schrodinger.application.desmond.ffiostructure._FEPIOProperty: A dictionary of fepio properties, with all dict methods.
  • schrodinger.application.desmond.ffiostructure._FEPIOSubBlockProperty: A dictionary of fepio sub-block properties.
  • schrodinger.trajectory.ffstructure._FFAngleProperty: A dictionary to hold angle force field parameters.
  • schrodinger.trajectory.ffstructure._FFBondProperty: A dictionary to hold bond force field parameters.
  • schrodinger.trajectory.ffstructure._FFConstraintProperty: A dictionary to hold constraint force field parameters.
  • schrodinger.trajectory.ffstructure._FFDihedralProperty: A dictionary to hold dihedral force field parameters.
  • schrodinger.trajectory.ffstructure._FFExclusionProperty: A dictionary to hold exclusion pair force field parameters.
  • schrodinger.application.desmond.ffiostructure._FFIOProperty: A dictionary of ffio properties, with all dict methods.
  • schrodinger.application.desmond.ffiostructure._FFIOSubBlockProperty: A dictionary of ffio sub-block properties.
  • schrodinger.trajectory.ffstructure._FFPairProperty: A dictionary to hold pair force field parameters.
  • schrodinger.trajectory.ffstructure._FFPseudoProperty: A dictionary to hold pseudo atom force field parameters.
  • schrodinger.trajectory.ffstructure._FFRestraintProperty: A dictionary to hold restraint force field parameters.
  • schrodinger.trajectory.ffstructure._FFSiteProperty: A dictionary to hold site force field parameters.
  • schrodinger.trajectory.ffstructure._FFVdwtypeProperty: A dictionary to hold Van der Waals type force field parameters.
  • schrodinger.trajectory.ffstructure._FFVirtualProperty: A dictionary to hold virtual site force field parameters.
  • schrodinger.application.qsite.input._GenDict: A dictionary-like class for getting and setting keywords in the &gen section of qsite input, which controls the Jaguar portion of the calculation.
  • schrodinger.application.qsite.input._MopacDict: A dictionary-like class for getting and setting keywords in the &mopac section of qsite input, which controls the Jaguar/MOPAC portion of the calculation.
  • schrodinger.structure._StructureAtomProperty: Dictionary-like container of atom based properties.
  • schrodinger.structure._StructureBondProperty: Dictionary-like container of bond based properties.
  • schrodinger.structure._StructureProperty: Dictionary-like container of Structure based properties, with all dict methods.
• schrodinger.pipeline.pipeutils.DotPrinter: Class for printing a progress period or percentage every N number of iterations.
• schrodinger.application.mcpro.ddg.DrawDdgPanel: See initiator docstring.
• schrodinger.application.mcpro.fep.DrawFepPanel: See initiator docstring.
• schrodinger.application.mcpro.lrm.DrawLrmPanel: See initiator docstring.
• schrodinger.application.mcpro.mc.DrawMcPanel: See initiator docstring.
• schrodinger.application.mcpro.mini.DrawMiniPanel: See initiator docstring.
• schrodinger.application.mcpro.solvent.DrawSolventPanel
• schrodinger.application.desmond.fepdiff.DualIndexMapper
• schrodinger.project.EmptyIterator: Empty iterator.
• schrodinger.application.desmond.energygroup.EnergyComponent: Class for storing different energy components.
• schrodinger.application.desmond.energygroup.EnergyGroupAnalysis: General Energy Group analysis class.
  • schrodinger.application.desmond.energygroup.MSEnergyGroupAnalysis: Material Science energy group analysis module
• schrodinger.application.desmond.fep_edge_data.FEPTorsions
• schrodinger.application.desmond.fep_edge_data.FEPTorsionsContainer: Class that stores torsions for a single ligand.
• schrodinger.trajectory.ffstructure.FFStructure: A class containing force field information.
• schrodinger.application.bioluminate.actions.factory.Factory: A class dedicated to the creation, deletion and modification of groups of actions.
• schrodinger.structutils.smilesfilter.FilterReporter: A class to handle reporting of results from the remove_dupes function.
• schrodinger.analysis.enrichment.FingerprintFromFileGenerator: Class to generate (identifier, fingerprint) items, one at a time, from a structure file.
• schrodinger.application.prime.primefix.FixForPrime: Wrapper class to house the combination of methods for fixing a structure for Prime.
• schrodinger.protein._reliability.Packing.FragBox: data structure to hold a fragment in a 'box'
• schrodinger.application.desmond.fep_gui.FragClass: Class for storing the data for each fragment row.
• schrodinger.protein._reliability.Packing.Fragment: data structure to hold a fragment type
• schrodinger.application.desmond.gaussian_filter.GaussianFilter
• pyevolve.GenomeBase.GenomeBase: GenomeBase Class - The base of all chromosome representation
  • schrodinger.application.matsci.genetic_optimization.genetic_optimization.StructureGenome: Manage a genome.
• Tkinter.Grid: Geometry manager Grid.
  • Tkinter.Widget: Internal class.
    • Tkinter.Button: Button widget.
      • schrodinger.ui.widget.tkinterwidget.Button: Class that mimics the Tkinter.Button class.
      • schrodinger.ui.widget.tkinterwidget.NoteBookButton: Button Specifically designed for use with the Schoridinger-ized NoteBook Mega-Widget.
    • Tkinter.Canvas: Canvas widget to display graphical elements like lines or text.
      • schrodinger.ui.widget.tkinterwidget.Canvas: Class that mimics the Tkinter.Canvas class.
    • Tkinter.Checkbutton: Checkbutton widget which is either in on- or off-state.
      • schrodinger.ui.widget.tkinterwidget.Checkbutton: Class that mimics the Tkinter.Checkbutton class.
      • schrodinger.ui.widget.tkinterwidget.PickToggle: Class meant to replicate Maestro pick toggles.
        • schrodinger.ui.widget.tkinterwidget.PickAtomToggle: Class meant to replicate Maestro atom pick toggles.
        • schrodinger.ui.widget.tkinterwidget.PickBondToggle: Class meant to replicate Maestro bond pick toggles.
    • Tkinter.Entry: Entry widget which allows displaying simple text.
      • schrodinger.ui.widget.tkinterwidget.Entry: Class that mimics the Tkinter.Entry class.
      • schrodinger.ui.widget.tkinterwidget.TableEntry: Class of Tkinter.Entry widget intended for use with Schrodinger Table class which is still under development.
    • Tkinter.Frame: Frame widget which may contain other widgets and can have a 3D border.
      • schrodinger.ui.widget.tkinterwidget.Frame: Class that mimics the Tkinter.Frame class.
        • schrodinger.application.desmond.guide.Guide: This class provides a primitive workflow widget.
        • schrodinger.application.mcpro.guide.Guide: This class provides a simplistic workflow widget.
        • schrodinger.ui.propertyselector.PropertySelector: Class for selecting properties, with features to organize by family/owner, filter by name, and/or sort items in the list.
        • schrodinger.application.desmond.guide._Step: This is a class that represents the step as in the 'guide' widget (see below).
      • schrodinger.ui.widget.tkinterwidget.HorizontalBar: Class intended to mimic the horizontal bar that divides the bottom buttons from the rest of the panel in Maestro.
      • schrodinger.ui.multilistbox.MultiListbox: A Frame containing a table-like, column sortable, scrollable, list boxes.
    • Tkinter.Label: Label widget which can display text and bitmaps.
      • schrodinger.ui.widget.tkinterwidget.Label: Class that mimics the Tkinter.Label class.
    • Tkinter.LabelFrame: labelframe widget.
      • schrodinger.ui.widget.tkinterwidget.LabelFrame: Class that mimics the Tkinter.LabelFrame class.
    • Tkinter.Listbox: Listbox widget which can display a list of strings.
      • schrodinger.ui.widget.tkinterwidget.Listbox: Class that mimics the Tkinter.Listbox class.
    • Tkinter.Menu: Menu widget which allows displaying menu bars, pull-down menus and pop-up menus.
      • schrodinger.ui.widget.tkinterwidget.Menu: Class that mimics the Tkinter.Menu class.
    • Tkinter.Menubutton: Menubutton widget, obsolete since Tk8.0.
      • schrodinger.ui.widget.tkinterwidget.Menubutton: Class that mimics the Tkinter.Menubutton class.
    • Tkinter.Message: Message widget to display multiline text.
      • schrodinger.ui.widget.tkinterwidget.Message: Class that mimics the Tkinter.Message class.
    • Tkinter.PanedWindow: panedwindow widget.
      • schrodinger.ui.widget.tkinterwidget.PanedWindow: Class that mimics the Tkinter.PanedWindow class.
    • Tkinter.Radiobutton: Radiobutton widget which shows only one of several buttons in on-state.
      • schrodinger.ui.widget.tkinterwidget.Radiobutton: Class that mimics the Tkinter.Radiobutton class.
    • Tkinter.Scale: Scale widget which can display a numerical scale.
      • schrodinger.ui.widget.tkinterwidget.Scale: Class that mimics the Tkinter.Scale class.
    • Tkinter.Scrollbar: Scrollbar widget which displays a slider at a certain position.
      • schrodinger.ui.widget.tkinterwidget.Scrollbar: Class that mimics the Tkinter.Scrollbar class.
    • Tkinter.Spinbox: spinbox widget.
      • schrodinger.ui.widget.tkinterwidget.Spinbox: Class that mimics the Tkinter.Spinbox class.
    • Tkinter.Text: Text widget which can display text in various forms.
      • schrodinger.ui.widget.tkinterwidget.Text: Class that mimics the Tkinter.Text class.
• schrodinger.ui.widget.tkinterwidget.GroundClass: Necessary method for "grounding" all of the pick toggle preset methods in the event that the GUI is run outside of Maestro (Since pick toggles are used for choosing molecules, etc.
  • schrodinger.ui.widget.tkinterwidget.PickToggle: Class meant to replicate Maestro pick toggles.
    • schrodinger.ui.widget.tkinterwidget.PickAtomToggle: Class meant to replicate Maestro atom pick toggles.
    • schrodinger.ui.widget.tkinterwidget.PickBondToggle: Class meant to replicate Maestro bond pick toggles.
• schrodinger.application.desmond.mdkey.GuiMap
• urllib2.HTTPPasswordMgr
  • schrodinger.utils.urllib.ProxyPasswordManager
• schrodinger.application.jaguar.make_headers.HeaderWriter: Class to write a file structured as a header with sections for integer, real and string, etc keywords followed by a footer.
• optparse.HelpFormatter: Abstract base class for formatting option help.
  • optparse.IndentedHelpFormatter: Format help with indented section bodies.
    • schrodinger.utils.cmdline.DelegatingIndentedHelpFormatter: An IndentedHelpFormatter class that allows an Option class to alter its own option string if it has a process_option_strings method.
• schrodinger.application.combiglide.packages.hierarchy.Hierarchy: Class that stores the structure of the hierarchy.
• Tkinter.Image: Base class for images.
  • Tkinter.PhotoImage: Widget which can display colored images in GIF, PPM/PGM format.
    • schrodinger.ui.widget.tkinterwidget.PhotoImage: Class that mimics the Tkinter.PhotoImage class.
• schrodinger.application.mcpro.read_output.ImportSumfile: Method to read all data from current summary/monitor file and return the status and properties of interest in a hash.
• schrodinger.application.desmond.fepdiff.IndexMapper
• schrodinger.application.bioluminate.interaction_calculator.InteractingResidue: Store information about a residue and the interactions it makes
• schrodinger.application.jaguar.make_headers.JaguarTemplates: Class containing text block templates for Jaguar auto-generated C-style header files.
• schrodinger.test.squish.maestro.job_monitor.JobMonitor: Squish wrapper for Schrodinger job control API
• schrodinger.application.combiglide.packages.chutils.Join: An object is an allowed join between an attachment atom on a Substrate object and an attachment atom on an Adduct object.
• schrodinger.application.combiglide.packages.chutils.JoiningRules: Store joining rules read from a file and provide access methods.
• schrodinger.protein._reliability.Lattice: Class to more conveniently contain space group and unit cell information extracted from a structure.Structure.
• schrodinger.job.launcher.Launcher: Run a program (typically a Python or shell script) under job control.
• schrodinger.application.desmond.mdpose.mdpose_analysis.MDPoseAnalysis
  • schrodinger.application.desmond.mdpose.mdpose_analysis.Contact
  • schrodinger.application.desmond.mdpose.mdpose_analysis.RMSD
  • schrodinger.application.desmond.mdpose.mdpose_analysis.Tanimoto
• schrodinger.application.desmond.mdpose.mdposejob.MDSimulation
• schrodinger.test.squish.maestro.python_shell.MaestroPythonShell: Interact with Maestro Python Shell
• schrodinger.application.combiglide.packages.chutils.MakeRLinkerUtils: Utility functions for use with make_r_linker_sqlite().
• schrodinger.utils.pymol.Mapping: Mappings from Maestro codes to PyMOL representations and settings
• _Pmw.Pmw_1_3_3.lib.PmwBase.MegaArchetype
  • _Pmw.Pmw_1_3_3.lib.PmwMainMenuBar.MainMenuBar
    • schrodinger.ui.widget.pmwwidget.MainMenuBar: Class that mimics the Pmw.MainMenuBar class.
  • _Pmw.Pmw_1_3_3.lib.PmwBase.MegaToplevel
    • _Pmw.Pmw_1_3_3.lib.PmwBalloon.Balloon
      • schrodinger.ui.widget.pmwwidget.Balloon: Class that mimics the Pmw.Balloon class.
    • schrodinger.ui.widget._private._enhancedDialog
      • schrodinger.ui.widget.pmwwidget.Dialog: Class that mimics the Pmw.Dialog class.
      • schrodinger.ui.widget._private._enhancedMessageDialog
        • schrodinger.ui.widget.pmwwidget.MessageDialog: Class that mimics the Pmw.Dialog class.
          • schrodinger.ui.widget.pmwwidget.showinfo: Class designed to mimic the tkMessageBox.showinfo class with the caveat that a parent argument must be specified.
          • schrodinger.ui.widget.pmwwidget.showwarning: Class designed to mimic the tkMessageBox.showwarning class with the caveat that a parent argument must be specified.
      • schrodinger.ui.widget._private._enhancedPromptDialog
        • schrodinger.ui.widget.pmwwidget.PromptDialog: Class that mimics the Pmw.Dialog class.
  • _Pmw.Pmw_1_3_3.lib.PmwBase.MegaWidget
    • _Pmw.Pmw_1_3_3.lib.PmwButtonBox.ButtonBox
      • schrodinger.ui.widget.pmwwidget.ButtonBox: Class that mimics the Pmw.ButtonBox class.
    • _Pmw.Pmw_1_3_3.lib.PmwGroup.Group
      • schrodinger.ui.widget.pmwwidget.Group: Class that mimics the Pmw.Group class.
    • _Pmw.Pmw_1_3_3.lib.PmwOptionMenu.OptionMenu
      • schrodinger.ui.widget.pmwwidget.OptionMenu: Class that mimics the Pmw.OptionMenu class.
    • _Pmw.Pmw_1_3_3.lib.PmwRadioSelect.RadioSelect
      • schrodinger.ui.widget.pmwwidget.RadioSelect: Class that mimics the Pmw.RadioSelect class.
    • _Pmw.Pmw_1_3_3.lib.PmwScrolledCanvas.ScrolledCanvas
      • schrodinger.ui.widget.pmwwidget.ScrolledCanvas: Class that mimics the Pmw.ScrolledCanvas class.
    • _Pmw.Pmw_1_3_3.lib.PmwScrolledText.ScrolledText
      • schrodinger.ui.widget.pmwwidget.ScrolledText: Class that mimics the Pmw.ScrolledText class.
    • schrodinger.ui.widget._private._fixedComboBox
      • schrodinger.ui.widget.pmwwidget.ComboBox: Class that mimics the Pmw.ComboBox class.
        • schrodinger.ui.propertyselector.PropertySelectorMenu: Pull-down menu style property selected Used by VSW GUI
    • schrodinger.ui.widget._private._fixedCounter
      • schrodinger.ui.widget.pmwwidget.Counter: Class that mimics the Pmw.Counter class.
    • schrodinger.ui.widget._private._fixedEntryField
      • schrodinger.ui.widget.pmwwidget.EntryField: Class that mimics the Pmw.EntryField class.
    • schrodinger.ui.widget._private._fixedPanedWidget
      • schrodinger.ui.widget.pmwwidget.PanedWidget: Class that mimics the Pmw.PanedWidget class.
    • schrodinger.ui.widget._private._fixedScrolledFrame
      • schrodinger.ui.widget.pmwwidget.ScrolledFrame: Class that mimics the Pmw.ScrolledFrame class.
    • schrodinger.ui.widget._private._fixedScrolledListBox
      • schrodinger.ui.widget.pmwwidget.ScrolledListBox: Class that mimics the Pmw.ScrolledListBox class.
  • schrodinger.ui.widget._private._roundNoteBook
    • schrodinger.ui.widget.pmwwidget.NoteBook: Class that mimics the Pmw.NoteBook class.
• schrodinger.protein.membrane.Membrane_Model
• rfc822.Message: Represents a single RFC 2822-compliant message.
  • mimetools.Message: A derived class of rfc822.Message that knows about MIME headers and contains some hooks for decoding encoded and multipart messages.
• schrodinger.application.desmond.meta.Meta
• schrodinger.application.desmond.meta.MetaDynamicsAnalysis: Analysis tools for Desmond's metadynamics jobs.
• Tkinter.Misc: Internal class.
  • Tkinter.BaseWidget: Internal class.
    • Tkinter.Toplevel: Toplevel widget, e.g.
      • schrodinger.ui.widget.tkinterwidget.Toplevel: Class that mimics the Tkinter.Toplevel class.
    • Tkinter.Widget: Internal class.
      • Tkinter.Button: Button widget.
        • schrodinger.ui.widget.tkinterwidget.Button: Class that mimics the Tkinter.Button class.
        • schrodinger.ui.widget.tkinterwidget.NoteBookButton: Button Specifically designed for use with the Schoridinger-ized NoteBook Mega-Widget.
      • Tkinter.Canvas: Canvas widget to display graphical elements like lines or text.
        • schrodinger.ui.widget.tkinterwidget.Canvas: Class that mimics the Tkinter.Canvas class.
      • Tkinter.Checkbutton: Checkbutton widget which is either in on- or off-state.
        • schrodinger.ui.widget.tkinterwidget.Checkbutton: Class that mimics the Tkinter.Checkbutton class.
        • schrodinger.ui.widget.tkinterwidget.PickToggle: Class meant to replicate Maestro pick toggles.
          • schrodinger.ui.widget.tkinterwidget.PickAtomToggle: Class meant to replicate Maestro atom pick toggles.
          • schrodinger.ui.widget.tkinterwidget.PickBondToggle: Class meant to replicate Maestro bond pick toggles.
      • Tkinter.Entry: Entry widget which allows displaying simple text.
        • schrodinger.ui.widget.tkinterwidget.Entry: Class that mimics the Tkinter.Entry class.
        • schrodinger.ui.widget.tkinterwidget.TableEntry: Class of Tkinter.Entry widget intended for use with Schrodinger Table class which is still under development.
      • Tkinter.Frame: Frame widget which may contain other widgets and can have a 3D border.
        • schrodinger.ui.widget.tkinterwidget.Frame: Class that mimics the Tkinter.Frame class.
          • schrodinger.application.desmond.guide.Guide: This class provides a primitive workflow widget.
          • schrodinger.application.mcpro.guide.Guide: This class provides a simplistic workflow widget.
          • schrodinger.ui.propertyselector.PropertySelector: Class for selecting properties, with features to organize by family/owner, filter by name, and/or sort items in the list.
          • schrodinger.application.desmond.guide._Step: This is a class that represents the step as in the 'guide' widget (see below).
        • schrodinger.ui.widget.tkinterwidget.HorizontalBar: Class intended to mimic the horizontal bar that divides the bottom buttons from the rest of the panel in Maestro.
        • schrodinger.ui.multilistbox.MultiListbox: A Frame containing a table-like, column sortable, scrollable, list boxes.
      • Tkinter.Label: Label widget which can display text and bitmaps.
        • schrodinger.ui.widget.tkinterwidget.Label: Class that mimics the Tkinter.Label class.
      • Tkinter.LabelFrame: labelframe widget.
        • schrodinger.ui.widget.tkinterwidget.LabelFrame: Class that mimics the Tkinter.LabelFrame class.
      • Tkinter.Listbox: Listbox widget which can display a list of strings.
        • schrodinger.ui.widget.tkinterwidget.Listbox: Class that mimics the Tkinter.Listbox class.
      • Tkinter.Menu: Menu widget which allows displaying menu bars, pull-down menus and pop-up menus.
        • schrodinger.ui.widget.tkinterwidget.Menu: Class that mimics the Tkinter.Menu class.
      • Tkinter.Menubutton: Menubutton widget, obsolete since Tk8.0.
        • schrodinger.ui.widget.tkinterwidget.Menubutton: Class that mimics the Tkinter.Menubutton class.
      • Tkinter.Message: Message widget to display multiline text.
        • schrodinger.ui.widget.tkinterwidget.Message: Class that mimics the Tkinter.Message class.
      • Tkinter.PanedWindow: panedwindow widget.
        • schrodinger.ui.widget.tkinterwidget.PanedWindow: Class that mimics the Tkinter.PanedWindow class.
      • Tkinter.Radiobutton: Radiobutton widget which shows only one of several buttons in on-state.
        • schrodinger.ui.widget.tkinterwidget.Radiobutton: Class that mimics the Tkinter.Radiobutton class.
      • Tkinter.Scale: Scale widget which can display a numerical scale.
        • schrodinger.ui.widget.tkinterwidget.Scale: Class that mimics the Tkinter.Scale class.
      • Tkinter.Scrollbar: Scrollbar widget which displays a slider at a certain position.
        • schrodinger.ui.widget.tkinterwidget.Scrollbar: Class that mimics the Tkinter.Scrollbar class.
      • Tkinter.Spinbox: spinbox widget.
        • schrodinger.ui.widget.tkinterwidget.Spinbox: Class that mimics the Tkinter.Spinbox class.
      • Tkinter.Text: Text widget which can display text in various forms.
        • schrodinger.ui.widget.tkinterwidget.Text: Class that mimics the Tkinter.Text class.
  • Tkinter.Tk: Toplevel widget of Tk which represents mostly the main window of an application.
    • schrodinger.ui.widget.tkinterwidget.Tk: This is a Schrodinger-ized Tk instance.
• schrodinger.trajectory.rmsd2d.ModelBase
  • schrodinger.trajectory.rmsd2d.MultiprocessingModel
  • schrodinger.trajectory.rmsd2d.ThreadingModel
• schrodinger.protein._reliability.ModelCheck
• schrodinger.application.mcpro.modelsystemwizard.ModelSystem: This is where all information regarding the model system are stored.
• schrodinger.application.mcpro.modelsystemwizard.ModelSystemPanel: Class to draw the model-system-creation panel
• schrodinger.application.jaguar.make_headers.MopacTemplates: Class containing text block templates for MOPAC auto-generated C-style header files.
• schrodinger.structutils.io.MultiFileReader: Reads structures from multiple files.
• schrodinger.application.desmond.fep_gui.MutClass: Class for storing the data for each mutation row.
• schrodinger.application.bioluminate.protein.Mutation: Helper class for Mutator.
• schrodinger.application.bioluminate.protein.Mutator: Mutates a set of residues in a protein structure allowing concurrent mutations as well as the option to limit concurrent mutations to sequential residues only.
• optparse.Option: Instance attributes: _short_opts : [string] _long_opts : [string]
  • schrodinger.utils.cmdline.SingleDashOption: A class to automatically translate long options with single dashes into double dash long options, but still print out help with the single dash.
• optparse.OptionContainer: Abstract base class.
  • optparse.OptionParser: Class attributes: standard_option_list : [Option] list of standard options that will be accepted by all instances of this parser class (intended to be overridden by subclasses).
    • schrodinger.utils.cmdline.SingleDashOptionParser: An OptionParser subclass that allows long options with a single dash.
• schrodinger.trajectory.pbc_manager.PBCMeasureMananger: A class to measure distance, angle, dihedral and planar angle under periodic boundary conditions.
• Tkinter.Pack: Geometry manager Pack.
  • Tkinter.Widget: Internal class.
    • Tkinter.Button: Button widget.
      • schrodinger.ui.widget.tkinterwidget.Button: Class that mimics the Tkinter.Button class.
      • schrodinger.ui.widget.tkinterwidget.NoteBookButton: Button Specifically designed for use with the Schoridinger-ized NoteBook Mega-Widget.
    • Tkinter.Canvas: Canvas widget to display graphical elements like lines or text.
      • schrodinger.ui.widget.tkinterwidget.Canvas: Class that mimics the Tkinter.Canvas class.
    • Tkinter.Checkbutton: Checkbutton widget which is either in on- or off-state.
      • schrodinger.ui.widget.tkinterwidget.Checkbutton: Class that mimics the Tkinter.Checkbutton class.
      • schrodinger.ui.widget.tkinterwidget.PickToggle: Class meant to replicate Maestro pick toggles.
        • schrodinger.ui.widget.tkinterwidget.PickAtomToggle: Class meant to replicate Maestro atom pick toggles.
        • schrodinger.ui.widget.tkinterwidget.PickBondToggle: Class meant to replicate Maestro bond pick toggles.
    • Tkinter.Entry: Entry widget which allows displaying simple text.
      • schrodinger.ui.widget.tkinterwidget.Entry: Class that mimics the Tkinter.Entry class.
      • schrodinger.ui.widget.tkinterwidget.TableEntry: Class of Tkinter.Entry widget intended for use with Schrodinger Table class which is still under development.
    • Tkinter.Frame: Frame widget which may contain other widgets and can have a 3D border.
      • schrodinger.ui.widget.tkinterwidget.Frame: Class that mimics the Tkinter.Frame class.
        • schrodinger.application.desmond.guide.Guide: This class provides a primitive workflow widget.
        • schrodinger.application.mcpro.guide.Guide: This class provides a simplistic workflow widget.
        • schrodinger.ui.propertyselector.PropertySelector: Class for selecting properties, with features to organize by family/owner, filter by name, and/or sort items in the list.
        • schrodinger.application.desmond.guide._Step: This is a class that represents the step as in the 'guide' widget (see below).
      • schrodinger.ui.widget.tkinterwidget.HorizontalBar: Class intended to mimic the horizontal bar that divides the bottom buttons from the rest of the panel in Maestro.
      • schrodinger.ui.multilistbox.MultiListbox: A Frame containing a table-like, column sortable, scrollable, list boxes.
    • Tkinter.Label: Label widget which can display text and bitmaps.
      • schrodinger.ui.widget.tkinterwidget.Label: Class that mimics the Tkinter.Label class.
    • Tkinter.LabelFrame: labelframe widget.
      • schrodinger.ui.widget.tkinterwidget.LabelFrame: Class that mimics the Tkinter.LabelFrame class.
    • Tkinter.Listbox: Listbox widget which can display a list of strings.
      • schrodinger.ui.widget.tkinterwidget.Listbox: Class that mimics the Tkinter.Listbox class.
    • Tkinter.Menu: Menu widget which allows displaying menu bars, pull-down menus and pop-up menus.
      • schrodinger.ui.widget.tkinterwidget.Menu: Class that mimics the Tkinter.Menu class.
    • Tkinter.Menubutton: Menubutton widget, obsolete since Tk8.0.
      • schrodinger.ui.widget.tkinterwidget.Menubutton: Class that mimics the Tkinter.Menubutton class.
    • Tkinter.Message: Message widget to display multiline text.
      • schrodinger.ui.widget.tkinterwidget.Message: Class that mimics the Tkinter.Message class.
    • Tkinter.PanedWindow: panedwindow widget.
      • schrodinger.ui.widget.tkinterwidget.PanedWindow: Class that mimics the Tkinter.PanedWindow class.
    • Tkinter.Radiobutton: Radiobutton widget which shows only one of several buttons in on-state.
      • schrodinger.ui.widget.tkinterwidget.Radiobutton: Class that mimics the Tkinter.Radiobutton class.
    • Tkinter.Scale: Scale widget which can display a numerical scale.
      • schrodinger.ui.widget.tkinterwidget.Scale: Class that mimics the Tkinter.Scale class.
    • Tkinter.Scrollbar: Scrollbar widget which displays a slider at a certain position.
      • schrodinger.ui.widget.tkinterwidget.Scrollbar: Class that mimics the Tkinter.Scrollbar class.
    • Tkinter.Spinbox: spinbox widget.
      • schrodinger.ui.widget.tkinterwidget.Spinbox: Class that mimics the Tkinter.Spinbox class.
    • Tkinter.Text: Text widget which can display text in various forms.
      • schrodinger.ui.widget.tkinterwidget.Text: Class that mimics the Tkinter.Text class.
• schrodinger.protein._reliability.Packing: read in parameters for packing calculation report residue Z-score
• schrodinger.application.desmond.energygroup.PairDict: PairDict is a special dictionary that treats pairs with the same element as equals, independent of order.
• schrodinger.application.combiglide.packages.hierarchy.Partition: A Partition in the hierarchy.
• schrodinger.application.combiglide.packages.hierarchy.Partitioning: A partitioning in the hierarchy.
• schrodinger.application.mcpro.perturbations.PertID: Storage class for perturbation identification
• schrodinger.application.mcpro.perturbations.PertReorder: Storage class for perturbation reordering
• schrodinger.application.mcpro.perturbations.Perturbations: Class to read, create, and manipulate the graph of perturbations from which user-specified list of fragments will be converted to a list of FEPs to be run
• schrodinger.pipeline.pipeio.PipeIO: Parent class for all Pipeline I/O classes.
  • schrodinger.pipeline.pipeio.Grid: A class to hold a set of grid files (compressed or uncompressed).
  • schrodinger.pipeline.pipeio.PhaseDB: A class to hold the absolute pathname of a Phase database.
  • schrodinger.pipeline.pipeio.Structures: A class to hold the names of structure files.
  • schrodinger.pipeline.pipeio.Text: A class to hold the names of one or more text (or log) files.
• schrodinger.pipeline.pipeline.Pipeline: A controller responsible for running the stages in the correct order.
• Tkinter.Place: Geometry manager Place.
  • Tkinter.Widget: Internal class.
    • Tkinter.Button: Button widget.
      • schrodinger.ui.widget.tkinterwidget.Button: Class that mimics the Tkinter.Button class.
      • schrodinger.ui.widget.tkinterwidget.NoteBookButton: Button Specifically designed for use with the Schoridinger-ized NoteBook Mega-Widget.
    • Tkinter.Canvas: Canvas widget to display graphical elements like lines or text.
      • schrodinger.ui.widget.tkinterwidget.Canvas: Class that mimics the Tkinter.Canvas class.
    • Tkinter.Checkbutton: Checkbutton widget which is either in on- or off-state.
      • schrodinger.ui.widget.tkinterwidget.Checkbutton: Class that mimics the Tkinter.Checkbutton class.
      • schrodinger.ui.widget.tkinterwidget.PickToggle: Class meant to replicate Maestro pick toggles.
        • schrodinger.ui.widget.tkinterwidget.PickAtomToggle: Class meant to replicate Maestro atom pick toggles.
        • schrodinger.ui.widget.tkinterwidget.PickBondToggle: Class meant to replicate Maestro bond pick toggles.
    • Tkinter.Entry: Entry widget which allows displaying simple text.
      • schrodinger.ui.widget.tkinterwidget.Entry: Class that mimics the Tkinter.Entry class.
      • schrodinger.ui.widget.tkinterwidget.TableEntry: Class of Tkinter.Entry widget intended for use with Schrodinger Table class which is still under development.
    • Tkinter.Frame: Frame widget which may contain other widgets and can have a 3D border.
      • schrodinger.ui.widget.tkinterwidget.Frame: Class that mimics the Tkinter.Frame class.
        • schrodinger.application.desmond.guide.Guide: This class provides a primitive workflow widget.
        • schrodinger.application.mcpro.guide.Guide: This class provides a simplistic workflow widget.
        • schrodinger.ui.propertyselector.PropertySelector: Class for selecting properties, with features to organize by family/owner, filter by name, and/or sort items in the list.
        • schrodinger.application.desmond.guide._Step: This is a class that represents the step as in the 'guide' widget (see below).
      • schrodinger.ui.widget.tkinterwidget.HorizontalBar: Class intended to mimic the horizontal bar that divides the bottom buttons from the rest of the panel in Maestro.
      • schrodinger.ui.multilistbox.MultiListbox: A Frame containing a table-like, column sortable, scrollable, list boxes.
    • Tkinter.Label: Label widget which can display text and bitmaps.
      • schrodinger.ui.widget.tkinterwidget.Label: Class that mimics the Tkinter.Label class.
    • Tkinter.LabelFrame: labelframe widget.
      • schrodinger.ui.widget.tkinterwidget.LabelFrame: Class that mimics the Tkinter.LabelFrame class.
    • Tkinter.Listbox: Listbox widget which can display a list of strings.
      • schrodinger.ui.widget.tkinterwidget.Listbox: Class that mimics the Tkinter.Listbox class.
    • Tkinter.Menu: Menu widget which allows displaying menu bars, pull-down menus and pop-up menus.
      • schrodinger.ui.widget.tkinterwidget.Menu: Class that mimics the Tkinter.Menu class.
    • Tkinter.Menubutton: Menubutton widget, obsolete since Tk8.0.
      • schrodinger.ui.widget.tkinterwidget.Menubutton: Class that mimics the Tkinter.Menubutton class.
    • Tkinter.Message: Message widget to display multiline text.
      • schrodinger.ui.widget.tkinterwidget.Message: Class that mimics the Tkinter.Message class.
    • Tkinter.PanedWindow: panedwindow widget.
      • schrodinger.ui.widget.tkinterwidget.PanedWindow: Class that mimics the Tkinter.PanedWindow class.
    • Tkinter.Radiobutton: Radiobutton widget which shows only one of several buttons in on-state.
      • schrodinger.ui.widget.tkinterwidget.Radiobutton: Class that mimics the Tkinter.Radiobutton class.
    • Tkinter.Scale: Scale widget which can display a numerical scale.
      • schrodinger.ui.widget.tkinterwidget.Scale: Class that mimics the Tkinter.Scale class.
    • Tkinter.Scrollbar: Scrollbar widget which displays a slider at a certain position.
      • schrodinger.ui.widget.tkinterwidget.Scrollbar: Class that mimics the Tkinter.Scrollbar class.
    • Tkinter.Spinbox: spinbox widget.
      • schrodinger.ui.widget.tkinterwidget.Spinbox: Class that mimics the Tkinter.Spinbox class.
    • Tkinter.Text: Text widget which can display text in various forms.
      • schrodinger.ui.widget.tkinterwidget.Text: Class that mimics the Tkinter.Text class.
• schrodinger.application.glide.glideanalysis.PoseLibrary: A helper class to sort a pose library.
• schrodinger.application.bioluminate.escomp.PotGrid: The container that holds the potential grid from APBS calculation.
• schrodinger.application.bioluminate.protein.PrimeStructure
• schrodinger.test.squish.maestro.project_table.ProjectTable: Interact with project table with minimal use of Squish object map.
• schrodinger.ui.qt.propertyselector.PropertySelector: Class for selecting properties, with features to organize by family/owner, filter by name, and/or sort items in the list.
  • schrodinger.application.bioluminate.propfilter.PropertySelectorWithRanges: A PropertySelector class that appends ranges to the names of numeric properties.
• schrodinger.ui.qt.propertyselector.PropertySelectorMenu: Pull-down menu style property selected widget.
  • schrodinger.application.matsci.chargegui.ChargePropertySelector: A widget that allows the user to pick from a list of properties from a combobox and shows the user the "User" version of the property name (Property Name rather than x_prog_Property_Name)
• schrodinger.protein.assignment.ProtAssign
• schrodinger.application.canvas.r_group.RGroupFinder: This class is used to find optimal core alignments and determines r-groups for input structures.
• schrodinger.trajectory.rmsd2d.RMSDCalculator: A multi-threading class to calculat pairwise RMSD on a set of trajectory frames.
  • schrodinger.trajectory.rmsd2d.RMSDMultiprocessing
  • schrodinger.trajectory.rmsd2d.RMSDThreading
• schrodinger.ui.qt.rama.Rama: A class showing a matplotlib plot of the Phi and Psi angles in a helix
  • schrodinger.application.bioluminate.protein_structure_quality.HomologyRama: A Ramachandran plot customized for the Protein Structure Quality Viewer
• schrodinger.ui.rama.Rama
• schrodinger.application.bioluminate.reactive_residues.ReactiveResidues: Find the reactive residues on a protein based on sequence patterns.
• schrodinger.ui.qt.appframework.ReadDialog: Dialog allowing user to specify a file to read in.
• schrodinger.protein._reliability.RealSpaceFit
• schrodinger.application.bioluminate.protein.Refiner: Creates input files and runs calculations for protein refinement jobs using Prime and our schrodinger.structutils.minimize.Minimizer class.
• schrodinger.protein.analysis.Report: A class to calculate properties of proteins.
• schrodinger.application.report2d.Report2D
• schrodinger.protein._reliability.Packing.ResStats
• schrodinger.application.bioluminate.escomp.ResidualPotential: Calculator of the residual potential on the ligand surface.
• schrodinger.application.bioluminate.reactive_residues.ResidueData: A container holding the data about the reactive residue
• schrodinger.application.mcpro.residuetools.ResidueTools: Class with tools to help in manipulating proteins
• schrodinger.application.desmond.rest_inp.RestInput
• schrodinger.infra.mmcheck.ReturnCode: A class to hold special return code values and translate return code values into names.
• schrodinger.application.macromodel.utils.SbcUtil: A class for writing substructure/constraint files to accompany jobname.com.
• schrodinger.application.jaguar.gui.tabs.scan_tab.ScanCoordinateColumns: Constants for the full (i.e.
• schrodinger.application.canvas.r_group_dee.SimulatedAnnealing
• schrodinger.structutils.sitealign.SiteMatchLookup: Lookup for any reference and mobile structures that have matching binding site atoms.
• schrodinger.structutils.smilesfilter.SmilesErrorHandler: A class that acts as an error handler for cases where SMILES generation fails.
• schrodinger.structutils.smiles.SmilesGenerator: A class to generate a SMILES string from a Structure object.
• schrodinger.pipeline.pipeline.StageJob: A "Job" that is used by Pipeline to run a Stage.
• schrodinger.analysis.enrichment.StatisticalSummary: Container class to store summary metrics describing an array of numerical values.
• schrodinger.application.report2d.StructInfo: Stores information that is needed to draw a structure to PDF/HTML.
• schrodinger.structutils.sort.StructureFileSorter: A class to sort structure files by ct-level property values.
• schrodinger.application.combiglide.corehop.SubstCoreDatabase: This class can be used to calculate substitution scores, where a core hopping database has been used to generate passed ligands.
• schrodinger.application.combiglide.packages.chutils.Substrate: An instance stores required information about a substrate molecule and supplies APIs for later retrieval.
• schrodinger.application.desmond.system_builder_inp.SystemBuilderInput
• schrodinger.infra.table.TableRow: This class represents a table row--what you get by indexing a Table.
• schrodinger.application.canvas.r_group.TempAtom
• unittest.TestCase
• schrodinger.trajectory.Torsion.Torsion: A class to contain the atom numbers for each torsion
• schrodinger.analysis.enrichment.TwoGroupFingerprintAnalyzer: Summarize the similarity differences within and between two groups of fingerprints.
• UserDict.UserDict
  • UserDict.IterableUserDict
    • schrodinger.pipeline.stage.Stage
      • schrodinger.pipeline.stages.canvas.Canvas2DSimilarityStage: This stage calculates a similarity score for each input ligand.
      • schrodinger.pipeline.stages.filtering.ChargeFilterStage: Stage-based class for filtering a set of structure files by total charge.
      • schrodinger.pipeline.stages.combine.CombineStage: Stage for combining multiple Structures objects into one.
      • schrodinger.pipeline.stages.macromodel.ConfSearchStage: Stage for running MacroModel calculations
      • schrodinger.pipeline.stages.convert.ConvertStage: Stage for converting structure files from one format to another Each file is converted using Schrodingers specific conversion utility and the number of files is not changed.
      • schrodinger.pipeline.stages.phase.DBConfSitesStage: Stage for generating conformations for structures in a Phase database.
      • schrodinger.pipeline.stages.phase.DBExportStage: Stage for exporting structures from a Phase database.
      • schrodinger.pipeline.stages.phase.DBManageStage: Stage for creating a Phase database.
      • schrodinger.pipeline.stages.combine.DataFusionMergeStage: This stage takes in results from a Glide docking job, Phase Shape job, and a Canvas 2D fingerprint job and combines them based on the Z-score for each method.
      • schrodinger.pipeline.stages.glide.DockingStage: VSW stage for performing Glide docking
      • schrodinger.pipeline.stages.filtering.DrugLikeSplitStage: Stage for splitting the input ligand structures into 3 groups:
      • schrodinger.pipeline.stages.example.ExampleStage
      • schrodinger.pipeline.stages.filtering.GeneratePropsStage: Ev:85070
      • schrodinger.pipeline.stages.glide.GlideSortStage: Stage for sorting Glide _pv/lib.mae files.
      • schrodinger.pipeline.stages.glide.GridgenStage
      • schrodinger.pipeline.stages.filtering.LigFilterStage: Stage interface for the LigFilter utility.
      • schrodinger.pipeline.stages.ligprep.LigPrepStage: Pipeline stage for running LigPrep on the input structures
      • schrodinger.pipeline.stages.prime.MMGBSAStage: Stage for running Prime MM-GBSA on input structures.
      • schrodinger.pipeline.stages.filtering.MergeDuplicatesStage: Stage for removing duplicate variants within each root (compound) based on unique SMILES strings.
      • schrodinger.pipeline.stages.glide.MergeStage: Stage for merging up to 999 Glide output files with 'glide_ensemble_merge'.
      • schrodinger.pipeline.stages.phase.PhaseShapeStage: Stage for running Phase Shape on the input ligands.
      • schrodinger.pipeline.stages.ligprep.PostLigPrepStage: This stage limits the number of steroisomers, removes states penalized by Epik/Ionizer, and generates the variant codes.
      • schrodinger.pipeline.stages.prime.PrimeStage: Prime Active Site Optimization stage: Performs the familiar sidechain prediction plus minimization, used by IFD jobs.
      • schrodinger.pipeline.stages.pull.PullStage: Stage for extracting a subset of ligands/compounds (and their variants) from a second set of ligand files, given the number or percent to keep from a first set of ligand files.
      • schrodinger.pipeline.stages.qsite.QSiteStage: Stage for running QSite jobs.
      • schrodinger.pipeline.stages.qikprop.QikPropStage: Stage for running QikProp jobs.
      • schrodinger.pipeline.stages.gencodes.RecombineStage: Stage for generating compound and variant codes, which are stored as properties.
      • schrodinger.pipeline.stages.gencodes.RestoreTitlesStage: Stage for copying titles for each input ligand from the 's_pipeline_title_backup' property to the 's_m_title' property.
      • schrodinger.pipeline.stages.rmsd.RmsdStage: Stage for calculating RMSDs for structures in two sets.
      • schrodinger.pipeline.stages.macromodel.SampleRingsStage: Stage for sampling rings with 7 or more members using MacroModel
      • schrodinger.pipeline.stages.semiemp.SemiEmpStage: Stage for running semi-empirical jobs.
      • schrodinger.pipeline.stages.filtering.SubSetStage: Stage for making a subset of the input files based on a list of titles or other property.
• schrodinger.application.vsw.vswinput.VSWWriter: Use writeInputFile() method
• Tkinter.Variable: Class to define value holders for e.g.
  • Tkinter.BooleanVar: Value holder for boolean variables.
    • schrodinger.ui.widget.tkinterwidget.BooleanVar: Class that mimics the Tkinter.BooleanVar class.
  • Tkinter.DoubleVar: Value holder for float variables.
    • schrodinger.ui.widget.tkinterwidget.DoubleVar: Class that mimics the Tkinter.DoubleVar class.
  • Tkinter.IntVar: Value holder for integer variables.
    • schrodinger.ui.widget.tkinterwidget.IntVar: Class that mimics the Tkinter.IntVar class.
  • Tkinter.StringVar: Value holder for strings variables.
    • schrodinger.ui.widget.tkinterwidget.StringVar: Class that mimics the Tkinter.StringVar class.
• schrodinger.application.watermap.watermap_inp.WaterMapInput
• Tkinter.Wm: Provides functions for the communication with the window manager.
  • Tkinter.Tk: Toplevel widget of Tk which represents mostly the main window of an application.
    • schrodinger.ui.widget.tkinterwidget.Tk: This is a Schrodinger-ized Tk instance.
  • Tkinter.Toplevel: Toplevel widget, e.g.
    • schrodinger.ui.widget.tkinterwidget.Toplevel: Class that mimics the Tkinter.Toplevel class.
• schrodinger.ui.qt.appframework.WriteDialog: Toplevel Qt widget that mimics the Write dialog.
• schrodinger.application.mcpro.writeinputs.WriteInputs
• schrodinger.pipeline.input.Writer: Class for writing pipeline input files.
  • schrodinger.pipeline.input.LinearWriter: Class for writing linear stage maps (ones with no branches).
• Tkinter.XView: Mix-in class for querying and changing the horizontal position of a widget's window.
  • Tkinter.Canvas: Canvas widget to display graphical elements like lines or text.
    • schrodinger.ui.widget.tkinterwidget.Canvas: Class that mimics the Tkinter.Canvas class.
  • Tkinter.Entry: Entry widget which allows displaying simple text.
    • schrodinger.ui.widget.tkinterwidget.Entry: Class that mimics the Tkinter.Entry class.
    • schrodinger.ui.widget.tkinterwidget.TableEntry: Class of Tkinter.Entry widget intended for use with Schrodinger Table class which is still under development.
  • Tkinter.Listbox: Listbox widget which can display a list of strings.
    • schrodinger.ui.widget.tkinterwidget.Listbox: Class that mimics the Tkinter.Listbox class.
  • Tkinter.Spinbox: spinbox widget.
    • schrodinger.ui.widget.tkinterwidget.Spinbox: Class that mimics the Tkinter.Spinbox class.
  • Tkinter.Text: Text widget which can display text in various forms.
    • schrodinger.ui.widget.tkinterwidget.Text: Class that mimics the Tkinter.Text class.
• schrodinger.application.glide.xpdes.XpPVParser: Class for parsing a PV file with XP-descriptor information
• schrodinger.application.desmond.xvfbwrapper.Xvfb
• Tkinter.YView: Mix-in class for querying and changing the vertical position of a widget's window.
  • Tkinter.Canvas: Canvas widget to display graphical elements like lines or text.
    • schrodinger.ui.widget.tkinterwidget.Canvas: Class that mimics the Tkinter.Canvas class.
  • Tkinter.Listbox: Listbox widget which can display a list of strings.
    • schrodinger.ui.widget.tkinterwidget.Listbox: Class that mimics the Tkinter.Listbox class.
  • Tkinter.Text: Text widget which can display text in various forms.
    • schrodinger.ui.widget.tkinterwidget.Text: Class that mimics the Tkinter.Text class.
• schrodinger.application.mcpro.zmat.Zmat: class to store a single Zmat and related objects
• schrodinger.application.mcpro.zmat.ZmatAddAng: Class to store additional angles
• schrodinger.application.mcpro.zmat.ZmatAddBnd: Class to store additional bonds
• schrodinger.application.mcpro.zmat.ZmatAddDih: Class to store additional dihedrals
• schrodinger.application.mcpro.zmat.ZmatAtom: class to store an atom of a zmat
• schrodinger.application.mcpro.zmat.ZmatBondAtomtypes: Class to store explicitly written stretch parameters
• schrodinger.application.mcpro.zmat.ZmatDomDef: Class to store domain definitions
• schrodinger.application.mcpro.zmat.ZmatGeoVar: class to store geometry variations
• schrodinger.application.mcpro.zmat.ZmatHarCons: Class to store harmonic constraints
• schrodinger.application.mcpro.zmat.ZmatNonBond: Class to store explicitly written non-bond parameters
• schrodinger.application.mcpro.zmat.ZmatVarDih: Class to store variable dihedrals
• schrodinger.protein.findhets._AddNeighborGroups: For each untemplated atom that is bound to a templated het, create a list of atoms that it is bound to that are not templated.
• schrodinger.project._AllRowsIterator: Iterator for all rows in the project or group
• schrodinger.infra.mmcheck._CCodeProfiler: A class for profiling the time spent in C functions.
• schrodinger.ui.qt.table._CacheClass: This class caches the last few QPictures given to it.
  • schrodinger.ui.qt.structtable._CacheClass: This class caches the last few QPictures given to it.
• schrodinger.ui.qt.table._CacheNode
  • schrodinger.ui.qt.structtable._CacheNode: This class has been moved into the new table module
• schrodinger.maestro.maestro._Callback: Class that allows each callback function to be registered by specifying it in the string format ("module.function") or in callable reference format (reference to function itself).
• schrodinger.application.prepwizard._CommonProblemsFixer: Class for fixing common structure problems.
• schrodinger.trajectory.desmondsimulation._DesmondFrame: _DesmondFrame contains simulation data at a particular time.
• schrodinger.test.stu.outcomes.desmond_workups._EneFile: Class to find and contain the information in a Desmond .ene file.
• schrodinger.project._EntryGroupIterator: Iterator for entry groups in the project
• schrodinger.project._EntrySurfaceIterator: An iterator for the surfaces associated with a given entry.
• schrodinger.trajectory.ffstructure._FFAngleIterator
• schrodinger.trajectory.ffstructure._FFBondIterator
• schrodinger.trajectory.ffstructure._FFConstraintIterator
• schrodinger.trajectory.ffstructure._FFDihedralIterator
• schrodinger.trajectory.ffstructure._FFExclusionIterator
• schrodinger.trajectory.ffstructure._FFPairIterator
• schrodinger.trajectory.ffstructure._FFPseudoIterator
• schrodinger.trajectory.ffstructure._FFRestraintIterator
• schrodinger.trajectory.ffstructure._FFSiteIterator
• schrodinger.trajectory.ffstructure._FFVdwtypeIterator
• schrodinger.trajectory.ffstructure._FFVirtualIterator
• schrodinger.trajectory.desmondsimulation._FepTrajectory._FepFrame
• schrodinger.trajectory.desmondsimulation._FepTrajectory
• schrodinger.application.desmond.energygroup._Group
• schrodinger.maestro.maestro._IgnoreCallback: This is a context manager to ignore maestro callbacks inside a with: block
• schrodinger.project._IncludedRowsIterator: Iterator for included rows of the project or group
• schrodinger.utils.ligfilter._MySplit
• reportlab.pdfgen.textobject._PDFColorSetter: Abstracts the color setting operations; used in Canvas and Textobject asseumes we have a _code object
  • reportlab.pdfgen.canvas.Canvas: This class is the programmer's interface to the PDF file format.
    • schrodinger.application.desmond.report_helper.NumberedCanvas
• schrodinger.application.combiglide.packages.chutils._ParseRulesFile: Utility functions (no objects) to read and parse joining-rules files and to write new such files with proper syntax.
• schrodinger.test.stu.outcomes.standard_workups._PropertyCompare: Compare properties between a ct and a csv file generated from a ct via proplister.
• schrodinger.project._SelectedRowsIterator: Iterator for selected rows of the project or group
• schrodinger.infra.mmcheck._Wrapper: Class used to wrap a function from pymmlibs, checking the return code and raising an exception if it is not of the correct 'OK' enum value.
• schrodinger.application.combiglide.combenumdock._fakeEvent
• schrodinger.ui.qt.rama.Rama.backbone_dihedral
• schrodinger.ui.rama.Rama.backbone_dihedral
• schrodinger.protein.assignment.ProtAssign.changeable
  • schrodinger.protein.assignment.ProtAssign.amide_changeable
  • schrodinger.protein.assignment.ProtAssign.amine_changeable
  • schrodinger.protein.assignment.ProtAssign.carboxyl_changeable
  • schrodinger.protein.assignment.ProtAssign.histidine_changeable
  • schrodinger.protein.assignment.ProtAssign.rotatable_changeable
  • schrodinger.protein.assignment.ProtAssign.water_changeable
• schrodinger.protein.analysis.Report.data_set.data_point: Class that holds the data for each point in a data set
• schrodinger.protein.analysis.Report.data_set: Base class for all data sets.
  • schrodinger.protein.analysis.Report.Bfactor_data_set: Class to compute and hold data for B-Factors
  • schrodinger.protein.analysis.Report.Gfactor_summary_data_set: Class to compute and hold data for G-factor summaries of the Backbone and Sidechain dihedrals.
  • schrodinger.protein.analysis.Report.backbone_dihedral_data_set: Class to compute and hold data for Backbone Dihedrals
  • schrodinger.protein.analysis.Report.bond_angle_data_set: Class to compute and hold data for Bond Angle Deviations
  • schrodinger.protein.analysis.Report.bond_length_data_set: Class to compute and hold data for Bond Length Deviations
  • schrodinger.protein.analysis.Report.chirality_data_set: Class to compute and hold C-alpha chirality data
  • schrodinger.protein.analysis.Report.gamma_Bfactor_data_set: Class to compute and hold data for B-Factors of sidechain gamma atoms
  • schrodinger.protein.analysis.Report.improper_torsion_data_set: Class to compute and hold RMS data for improper torsions
  • schrodinger.protein.analysis.Report.missing_atoms_data_set: Class to compute and hold information on missing atoms
  • schrodinger.protein.analysis.Report.peptide_planarity_data_set: Class to compute and hold data for Peptide Planarity
  • schrodinger.protein.analysis.Report.sidechain_dihedral_data_set: Class to compute and hold data for Sidechain Dihedrals
  • schrodinger.protein.analysis.Report.sidechain_planarity_data_set: Class to compute and hold RMS data for planarity of sidechains
  • schrodinger.protein.analysis.Report.steric_clash_data_set: Class to compute and hold data for Steric Clashes.
    • schrodinger.protein.analysis.Report.primex_steric_clash_data_set: A subclass of steric_clash_data_set that computes clashes using a different set of criteria used by PrimeX Polish.
• schrodinger.protein.assignment.ProtAssign.hbond_cluster
• schrodinger.protein.analysis.Report.local_atom: Private class used to store atom information locally for speed
• schrodinger.protein.analysis.Report.local_protein: Private class used to store protein information locally for convenience
• schrodinger.protein.analysis.Report.local_residue: Private class used to store residue information locally for convenience
• object: The most base type
  • schrodinger.application.msv.domain.align.AbstractAligner: Base class of objects that can perform an alignment
    • schrodinger.application.msv.domain.align.BasicAligner: Aligns sequences by simply adding gaps to the ends of sequences to make them the same length
    • schrodinger.application.msv.domain.align.ClustalAligner: Aligns sequences using the Clustal alignment algorithm.
    • schrodinger.application.msv.domain.align.ConstrainedPairwiseAlignment
    • schrodinger.application.msv.domain.align.RescodeAligner: Aligns sequences by rescode
  • schrodinger.ui.qt.appframework2.maestro_callback.AbstractMaestroCallbackMixin: A mixin that allows the above decorators to be used for maestro callbacks.
    • schrodinger.ui.qt.appframework2.maestro_callback.MaestroCallbackMixin: A mixin that allows the maestro callback decorators to be used in a panel class or in any QtWidgets.QWidget that will be its own window.
      • schrodinger.ui.qt.appframework2.af2.App
        • schrodinger.utils.welcome_dialog_dir.base_welcome.BaseWelcome
          • schrodinger.utils.welcome_dialog.WelcomeDialog
        • schrodinger.ui.qt.appframework2.af2.JobApp
          • schrodinger.application.jaguar.gui.base_panel.BaseJaguarPanel: A base class for all Jaguar GUIs.
            • schrodinger.application.jaguar.gui.base_panel.StandardPanel: A convenience class for standard Jaguar panels that:
            • schrodinger.application.jaguar.gui.base_panel.StandardPanelNoInputTab: A convenience class for standard Jaguar panels that use a "Molecule" tab (with a basis selector) in place of an "Input" tab.
              • schrodinger.application.jaguar.gui.base_panel.MultiStructurePanel: A convenience class for standard Jaguar panels that use a MultiStructureTab.
          • schrodinger.application.desmond.gui.GuiApp: Base class of several Desmond panel GUI's (see its subclasses below).
          • schrodinger.application.matsci.guibase.MultiJobApp: Subclass of AF2 JobApp that allows launching multiple simultanious jobs.
            • schrodinger.application.matsci.guibase.MultiDesmondJobApp: Class with functionality for setting up, validating and running multiple Desmond jobs.
          • schrodinger.application.matsci.reordergui.ReorderAtomPanel: A simple panel that takes two selected entries and allows one of them to be reordered - this is mainly for testing and example purposes.
        • schrodinger.application.msv.gui.msv_gui.MSVPanel
  • schrodinger.tasks.mappers.AbstractParamMapper
    • schrodinger.tasks.mappers.SettingsParamMapper: This mapper allows mapping via appframework2's settings module.
  • schrodinger.tasks.runners.AbstractTaskReporter
    • schrodinger.tasks.runners.CmdlineTaskReporter
    • schrodinger.tasks.runners.PanelTaskReporter
  • schrodinger.application.matsci.enumeration.Alchemist: Class that mutates the element of an atom in a structure
    • schrodinger.application.matsci.enumeration.StructureAlchemist: An abstract base Alchemist class for Alchemists that transmute Structures - subclasses will probably need to re-implement the performTransmutation and allTransmutationsCompleted methods.
      • schrodinger.application.matsci.enumeration.ElementAlchemist: An alchemist class that transmutes elements in a Structure
      • schrodinger.application.matsci.enumeration.VacancyAlchemist: An alchemist class that deletes atoms in a Structure and the hydrogens they are bound to
  • schrodinger.application.desmond.title_to_hex.Analysis
  • schrodinger.trajectory.analysistool.AnalysisTool: AnalysisTool is a base class for creating analyses of schrodinger.trajectory.desmondsimulation.DesmondSimulation objects.
    • schrodinger.trajectory.analysis.Angle: A tool to calculate angles between selected atom sets.
    • schrodinger.trajectory.lipid_analysis.AreaPerLipid: Figure out what's the area per lipid in the pure membrane system
    • schrodinger.trajectory.analysis.AverageStructure: A tool to calculate average position over time for each atom in a set.
    • schrodinger.trajectory.analysis.CenterOfMass: A tool to calculate center of mass of selected atoms.
    • schrodinger.trajectory.analysis.CenterOfMotion: A tool to calculate center of motion of selected atoms.
    • schrodinger.trajectory.analysis.CovarianceMatrix: A tool to calculate covmatiant matrix.
    • schrodinger.trajectory.analysis.Dihedral: A tool to calculate dihedral angles from selected atom sets.
    • schrodinger.trajectory.analysis.Distance: A tool to calculate distances between selected atom sets.
    • schrodinger.application.desmond.energygroup.EnergyGroup: A tool to calculate group-group interaction.
      • schrodinger.application.desmond.energygroup.MSEnergyGroup: A tool to calculate material-science related energy analyses
    • schrodinger.trajectory.analysis.HydrogenBondFinder: A tool to find hydrogen bonds present between two sets of molecules.
    • schrodinger.trajectory.analysis.HydrogenBondTracker: A tool to track the state of hydrogen bonds between atom sets.
    • schrodinger.trajectory.hydrophobiccontactfinder.HydrophobicContactFinder: A tool to find hydrogen bonds present between two sets of molecules.
    • schrodinger.trajectory.jcoupling.Jcoupling: A class to calculate NMR J-coupling, using Karplus' relation.
    • schrodinger.trajectory.analysis.LigandRMSD: A tool to calculate Root Mean Square Deviation from reference positions of a small molecule.
    • schrodinger.trajectory.analysis.MolecularSurfaceArea: A tool to calculate molecular (connolly) surface area.
    • schrodinger.trajectory.order_parameters.OrderParameter: Given the Direcator (local or global), and the descriptor (local or global),...
    • schrodinger.trajectory.lipid_analysis.PhospholipidBilayerThickness: This method will center the system in around the Z-axis == 0, and will calculate Phosphorus-Phosphorus distance from two bilayer leaflets.
    • schrodinger.trajectory.analysis.PlanarAngle: A tool calculate inter-planar angles from selected atoms
    • schrodinger.trajectory.analysis.PolarSurfaceArea: A tool to calculate Polar Surface Area.
    • schrodinger.trajectory.analysis.Position: A tool to track positions of atoms.
    • schrodinger.trajectory.protliginteractionfinder.ProtLigInteractionFinder: A tool to find between two selections.
    • schrodinger.trajectory.proteininteractionsfinder.ProteinProteinInteractionsFinder: A class which finds all protein-protein interactions.
    • schrodinger.trajectory.analysis.RMSD: A tool to calculate Root Mean Square Deviation from reference positions.
    • schrodinger.trajectory.analysis.RMSF: A tool to calculate Root Mean Square Fluctation from reference positions.
    • schrodinger.trajectory.analysis.RadiusOfGyration: A tool to calculate radius of gyration for a set of atoms.
    • schrodinger.trajectory.analysis.Ramachandran: A tool to look at Ramachandran information and plots.
    • schrodinger.trajectory.saltbridgefinder.SaltBridgeFinder: A tool to find hydrogen bonds present between two sets of molecules.
    • schrodinger.trajectory.analysis.SecondaryStructure: A tool to track secondary protein structure.
    • schrodinger.trajectory.analysis.SolventAccessibleSurfaceArea: A class which calculates Solvent Accessible Surface Area.
    • schrodinger.trajectory.analysis.SolventAccessibleSurfaceAreaByResidue: A class which calculates Solvent Accessible Surface Area and returns results groupped by residues.
    • schrodinger.trajectory.analysis.VolumeMapper: A tool to map atomic volume onto a grid.
  • schrodinger.application.desmond.packages.msys.AnnotatedSystem: System that has been annotated with additional chemical information
  • schrodinger.application.desmond.simulation_block_data.Array_Prop
  • schrodinger.structutils.analyze.AslLigandSearcher: Search a Structure instance for putative ligands with an Atom Selection Language expression.
  • schrodinger.application.desmond.cmj.AslValidator
  • schrodinger.application.desmond.packages.viparr1.viparr.viparr.Atom
  • schrodinger.application.desmond.mdkey.AtomGroup
  • schrodinger.application.desmond.cms.AtomGroup
  • schrodinger.application.desmond.gui.AtomGroupFrame: Frame for the "Atom group" box of the Misc tab of the Advanced Options dialog.
  • schrodinger.application.desmond.packages.msys.atomsel.Atomsel: Supports alignment of molecular structures
  • requests.auth.AuthBase: Base class that all auth implementations derive from
    • schrodinger.test.stu.client.ApiKeyAuth: An authorization method that uses an api key.
  • schrodinger.application.jaguar.gui.base_panel.AutomaticJobnameMixin: A mixin that automatically generates the jobname using the current panel settings.
    • schrodinger.application.jaguar.gui.base_panel.MultiStructurePanel: A convenience class for standard Jaguar panels that use a MultiStructureTab.
    • schrodinger.application.jaguar.gui.base_panel.StandardPanel: A convenience class for standard Jaguar panels that:
  • schrodinger.application.matsci.mecp_mod.BFGS: Manage a BFGS optimization.
  • schrodinger.application.matsci.espresso.qeoutput.BandStructure: This class is based on the class from pymatgen (MIT license).
  • schrodinger.application.matsci.bandshape_utils.BandshapeSpectrumFile: Manage a bandshape spectrum file.
  • exceptions.BaseException: Common base class for all exceptions
    • exceptions.Exception: Common base class for all non-exit exceptions.
      • schrodinger.application.msv.domain.align.AlignmentException
      • schrodinger.job.launchparams.ArgumentParserError
      • schrodinger.application.desmond.antlr3.exceptions.BacktrackingFailed: @brief Raised to signal failed backtrack attempt
      • schrodinger.application.canvas.similarity.CanvasSimilarityNotImplemented: For CanvasSimilarity method not yet implemented
      • schrodinger.test.stu.client.ClientError: Generic STU client error.
      • _pytest.main.Collector.CollectError: an error during collection, contains a custom message.
      • schrodinger.application.desmond.systype.DetectionError
      • schrodinger.job.queue.DownloadError: This class defines an exception that can arise when trying to download an output file from a job server.
      • schrodinger.application.desmond.systype.FormatError
      • schrodinger.application.glide.packages.startup.GlideStartupError: Glide startup exception class.
      • httplib.HTTPException
        • schrodinger.utils.urllib.ProxyTunnelError
      • schrodinger.application.pldb.packages.pldb_gui_shell_dir.utils_shell.HttpError
      • schrodinger.application.licensing.flexlm.IncompatibleLicenseError: This exception is thrown from the merge operations when incompatibilities between the old and new license prevent make merging them impossible.
      • schrodinger.application.matsci.genetic_optimization.genetic_optimization.IncompleteExtraOptionsError
      • schrodinger.application.matsci.mecp_mod.InputError
      • schrodinger.application.bioluminate.interaction_calculator.InteractionCalculatorError: An error that happens during InteractionCalculator calculations
      • schrodinger.application.jaguar.input.InvalidCDFTError
      • schrodinger.application.matsci.mecp_mod.IterationError
      • schrodinger.application.jaguar.user_config.JaguarConfigError
      • schrodinger.application.matsci.mecp_mod.JaguarError
      • schrodinger.application.matsci.jaguarworkflows.JaguarFailedException: An exception that is thrown when either reading the Jaguar output file fails for some reason, or a successful reading shows that Jaguar failed.
      • schrodinger.application.jaguar.textparser.JaguarParseError
      • schrodinger.application.jaguar.gui.utils.JaguarSettingError: An exception indicating that there was an error with the user-specified Jaguar settings
      • schrodinger.application.jaguar.exceptions.JaguarUserFacingException: Base class for custom Jaguar exceptions.
        • schrodinger.application.jaguar.autots_exceptions.ActiveBondSearchFailure: Failure to locate active bonds by simple search.
        • schrodinger.application.jaguar.autots_exceptions.BondError: no bonds are broken/formed in relax_ts
        • schrodinger.application.jaguar.autots_exceptions.CategoryOrderError: reaction category order is out of acceptable range
        • schrodinger.application.jaguar.autots_exceptions.ConformerError: two structures are not conformers and are being compared.
        • schrodinger.application.jaguar.autots_exceptions.ConnectionError: tried to connect same two structures twice
        • schrodinger.application.jaguar.autots_exceptions.CriticalPointsFailure: generic error in critical_points.py, output summary was printed
        • schrodinger.application.jaguar.autots_exceptions.GhostAtomIndexError: Ghost/dummy atoms are not at the end of the atom list.
        • schrodinger.application.jaguar.autots_exceptions.IRCEndpointError: the irc endpoints are the same geometry
        • schrodinger.application.jaguar.autots_exceptions.IRCFailure
        • schrodinger.application.jaguar.autots_exceptions.InsertionError: failed to insert into min_list
        • schrodinger.application.jaguar.autots_exceptions.IsomerError: two structures are not isomers and are being compared
        • schrodinger.application.jaguar.exceptions.JaguarIOError
        • schrodinger.application.jaguar.validation.JaguarKeywordException: Base exception class for all custom Jaguar keyword validation errors
          • schrodinger.application.jaguar.validation.JaguarKeywordError: Exception class raised when nonexistant Jaguar keyword is requested
          • schrodinger.application.jaguar.validation.JaguarKeywordFormatError: Exception class raised when a string not in the keyword=value format is found
          • schrodinger.application.jaguar.validation.JaguarKeywordValueError: Exception class raised when Jaguar keyword value is invalid
          • schrodinger.application.jaguar.validation.JaguarKeywordValueTypeError: Exception class raised when Jaguar keyword value has wrong type
        • schrodinger.application.jaguar.exceptions.JaguarRuntimeError
        • schrodinger.application.jaguar.autots_exceptions.JobFailure: a jaguar job failed
        • schrodinger.application.jaguar.autots_exceptions.MCSFailure: canvas mcs failed
        • schrodinger.application.jaguar.autots_exceptions.MMTypingFailure: Failure to correctly type the FF
        • schrodinger.application.jaguar.autots_exceptions.MappingError: indicates a mapping between incorrect atom types
        • schrodinger.application.jaguar.autots_exceptions.OptimizationFailure: a jaguar optimization ran out of cycles
        • schrodinger.application.jaguar.autots_exceptions.PathFailure: failure in fitting the path
        • schrodinger.application.jaguar.reactiq_validation.ReactiqConservationError: Runtime error due to a failure to conserve matter
        • schrodinger.application.jaguar.reactiq_validation.ReactiqKeywordException: Base exception class for all custom Reactiq keyword validation errors
          • schrodinger.application.jaguar.reactiq_validation.ReactiqKeywordConflictError: Exception class raised when Reactiq keywords have conflicting values
          • schrodinger.application.jaguar.reactiq_validation.ReactiqKeywordError: Exception class raised when nonexistant Reactiq keyword is requested
          • schrodinger.application.jaguar.reactiq_validation.ReactiqKeywordFormatError: Exception class raised when a string not in the keyword=value format is found
          • schrodinger.application.jaguar.reactiq_validation.ReactiqKeywordValueError: Exception class raised when Reactiq keyword value is invalid
          • schrodinger.application.jaguar.reactiq_validation.ReactiqKeywordValueTypeError: Exception class raised when Reactiq keyword value has wrong type
        • schrodinger.application.jaguar.autots_exceptions.Sn2Failure: failed to do sn2 renumbering
        • schrodinger.application.jaguar.autots_exceptions.SpectatorMoleculeError: Spectator molecules are unsupported
        • schrodinger.application.jaguar.autots_exceptions.TSEnergyError
        • schrodinger.application.jaguar.autots_exceptions.TSFailure
        • schrodinger.application.jaguar.autots_exceptions.TSFrequencyError: transition state has wrong number of imaginary frequencies
        • schrodinger.application.jaguar.autots_exceptions.TemplateAtomMapFailure: unable to generate atom mapping for input->template
        • schrodinger.application.jaguar.autots_exceptions.TemplateGuessFailure: Templating failed to generate a TS guess.
        • schrodinger.application.jaguar.autots_exceptions.UFFFailure: Failed to optimize with UFF
        • schrodinger.application.jaguar.autots_exceptions.UndefinedBondOperation: the bond operation is undefined
        • schrodinger.application.jaguar.autots_exceptions.UnknownChiralityError: Unable to determine chirality of a chiral center.
        • schrodinger.application.jaguar.autots_exceptions.UnsupportedReaction: Reaction type is unsupported for complex formation
      • schrodinger.job.jobcontrol.JobcontrolException
        • schrodinger.job.jobcontrol.JobLaunchFailure
        • schrodinger.job.jobcontrol.MissingFrontendException
        • schrodinger.job.jobcontrol.MissingHostsFileException
        • schrodinger.job.jobcontrol.UnreadableHostsFileException
      • schrodinger.application.licensing.licerror.LicenseException: A LicenseException delivers a LicenseError up the call chain.
      • schrodinger.application.licensing.flexlm.LicfileError: This exception is thrown by the main code if asked to work with something that isn't an actual license file.
      • schrodinger.maestro.maestro.MaestroCommand: Raises an Exception and is used whenever a command fails to execute.
      • schrodinger.application.matsci.mecp_mod.MinimizerError
      • schrodinger.application.licensing.licadmin.MissingExecutableError: If the requested path doesn't point to a valid executable.
      • schrodinger.application.matsci.cgforcefield.MissingParameterError: Raised if the force field is missing required data for a structure
      • schrodinger.infra.mmcheck.MmException: An exception class that specifically indicates the failure of an mmlibs call.
      • schrodinger.application.mopac.results2012.MopacBasisError1
      • schrodinger.application.mopac.results2012.MopacBasisError2
      • schrodinger.application.mopac.results2012.MopacBasisError3
      • schrodinger.application.mopac.results2012.MopacBasisError4
      • schrodinger.application.mopac.results2012.MopacBasisError5
      • schrodinger.application.mopac.mopac_launchers.MopacLicenseError
      • schrodinger.application.mopac.results2012.MopacNumericalError
      • schrodinger.application.mopac.results2012.MopacPropertyError
      • schrodinger.application.mopac.exceptions.MopacUserFacingException: Base class for custom Mopac exceptions.
        • schrodinger.application.mopac.exceptions.MopacIOError
        • schrodinger.application.mopac.exceptions.MopacRuntimeError
      • schrodinger.application.licensing.licadmin.NetsuiteError: This exception is raised when there's a problem obtaining a license from the NetSuite server.
      • schrodinger.application.pldb.packages.pldb_gui_shell_dir.client_shell.NoProxyEnvVariablesShell
      • schrodinger.maestro.markers.NotInWorkspaceError: An exception when trying to display a marker covering atoms that are not currently in the workspace.
      • schrodinger.structure.OptionError: A parent exception class to indicate an error in setting an option.
        • schrodinger.structure.UnsupportedOption: An exception class to indicate an attempt to set an option that is not supported.
        • schrodinger.structure.UnsupportedOptionValue: An exception class to indicate an attempt to set an option to a value that is supported.
      • schrodinger.application.desmond.cmj.ParseError
      • schrodinger.utils.urllib.PasswordRetryException
      • schrodinger.infra.phase.PhpException: Proxy of C++ PhpException class
      • schrodinger.project.ProjectException
        • schrodinger.project.ArchivedProjectException
        • schrodinger.project.InvalidProjectException
        • schrodinger.project.InvalidProjectVersion
        • schrodinger.project.LockedProjectException
      • schrodinger.protein.assignment.PropKaException
      • schrodinger.application.bioluminate.protein.PropkaError: A custom exception for any propka failures
      • schrodinger.infra.structure.PyStructureReaderException
      • schrodinger.infra.pyqt4_compat.QtUpgradeError: An exception raised when trying to access a PyQt4 method that no longer exists or has been renamed in PyQt5.
      • schrodinger.application.canvas.r_group.RGroupException: This is a special exception, which is thrown when for some reason r-group calculation can not be completed.
      • schrodinger.application.desmond.antlr3.exceptions.RecognitionException: @brief The root of the ANTLR exception hierarchy.
        • schrodinger.application.desmond.antlr3.exceptions.EarlyExitException: @brief The recognizer did not match anything for a (..)+ loop.
        • schrodinger.application.desmond.antlr3.exceptions.FailedPredicateException: @brief A semantic predicate failed during validation.
        • schrodinger.application.desmond.antlr3.exceptions.MismatchedRangeException: @brief The next token does not match a range of expected types.
        • schrodinger.application.desmond.antlr3.exceptions.MismatchedSetException: @brief The next token does not match a set of expected types.
          • schrodinger.application.desmond.antlr3.exceptions.MismatchedNotSetException: @brief Used for remote debugger deserialization
        • schrodinger.application.desmond.antlr3.exceptions.MismatchedTokenException: @brief A mismatched char or Token or tree node.
          • schrodinger.application.desmond.antlr3.exceptions.MissingTokenException: We were expecting a token but it's not found.
          • schrodinger.application.desmond.antlr3.exceptions.UnwantedTokenException: An extra token while parsing a TokenStream
        • schrodinger.application.desmond.antlr3.exceptions.MismatchedTreeNodeException: @brief The next tree mode does not match the expected type.
        • schrodinger.application.desmond.antlr3.exceptions.NoViableAltException: @brief Unable to decide which alternative to choose.
      • schrodinger.structutils.rgroup_enumerate.RgroupError: Exception class for errors specific to this module, which the caller may want to present to the user as a simple error message, as opposed to a traceback.
      • schrodinger.application.matsci.smartsutils.SMARTSGroupError: Class for exceptions related to SMARTS group finding
      • exceptions.StandardError: Base class for all standard Python exceptions that do not represent interpreter exiting.
        • exceptions.AssertionError: Assertion failed.
          • schrodinger.test.performance.reporter.BadResponse: When a http response status code does not match the expected.
          • schrodinger.test.pytest_customizations.BoostTestFailure
          • schrodinger.test.stu.outcomes.failures.WorkupFailure: General failure during workup.
            • schrodinger.test.stu.outcomes.failures.JobFailure: Base class for various problems with test/job execution.
              • schrodinger.test.stu.outcomes.failures.JobDiedFailure
              • schrodinger.test.stu.outcomes.failures.JobExpectedFailure
              • schrodinger.test.stu.outcomes.failures.JobFizzledFailure
              • schrodinger.test.stu.outcomes.failures.JobKilledFailure
              • schrodinger.test.stu.outcomes.failures.JobLaunchFailure
            • schrodinger.test.stu.outcomes.failures.LicenseFailure
            • schrodinger.test.stu.outcomes.structure_comparisons.StructureMismatch
              • schrodinger.test.stu.outcomes.structure_comparisons.CompositeFailure: Failures with lists or dicts of nested differences.
            • schrodinger.test.stu.outcomes.standard_workups.WorkupFailure
            • schrodinger.test.stu.outcomes.failures.WorkupImportFailure: Problems importing or finding the workup.
        • schrodinger.job.remote_command.CommandError: Used to report external commands that fail.
        • exceptions.ImportError: Import can't find module, or can't find name in module.
          • schrodinger.MaestroNotAvailableError: Error class to indicate that Maestro is not available and there was an attempt to use it.
        • exceptions.LookupError: Base class for lookup errors.
          • exceptions.KeyError: Mapping key not found.
            • schrodinger.job.launchapi.SpecificationKeyError: An error thrown when a key is missing from a serialized specification.
              • schrodinger.job.launchapi.JobSpecificationKeyError
              • schrodinger.job.launchapi.RuntimeParametersKeyError
              • schrodinger.job.launchapi.TaskSpecificationKeyError
        • exceptions.RuntimeError: Unspecified run-time error.
          • schrodinger.structutils.assignbondorders.CCDAtomNumberMismatchError: raise this error when atom numbers in CCD templates don't match HET
          • schrodinger.application.glide.packages.driver.GlideError: Exception class for fatal errors raised by the Glide driver.
            • schrodinger.application.glide.packages.driver.GlideExit: Exception class for triggering an early job exit.
          • schrodinger.application.jaguar.results.IncompleteOutput: Indicators that the output is incomplete.
          • schrodinger.test.stu.run.JobDJError
          • schrodinger.job.jobcontrol.JobLaunchFailure
          • schrodinger.test.pytest_customizations.ProcessDied
            • schrodinger.test.pytest_customizations.KilledProcess
          • schrodinger.application.desmond.antlr3.tree.RewriteCardinalityException: @brief Base class for all exceptions thrown during AST rewrite construction.
            • schrodinger.application.desmond.antlr3.tree.RewriteEarlyExitException: @brief No elements within a (...)+ in a rewrite rule
            • schrodinger.application.desmond.antlr3.tree.RewriteEmptyStreamException: @brief Ref to ID or expr but no tokens in ID stream or subtrees in expr stream
          • schrodinger.job.launchapi.RuntimeParametersError
          • schrodinger.structutils.assignbondorders.SmilesGenerateError: raise this error when CANVAS fails to generate SMILES
          • schrodinger.job.launchapi.TaskSpecificationError
        • exceptions.TypeError: Inappropriate argument type.
          • schrodinger.job.hunt_stub.UsageError: Used to report illegal hunt options, or invalid combinations of options.
        • exceptions.ValueError: Inappropriate argument value (of correct type).
          • schrodinger.test.stu.client.ClientValueError: Arguments to a client function are incorrect, or not fully determined.
          • schrodinger.application.jaguar.autots_exceptions.IRCVettingFailure: TS failed IRC vetting
          • schrodinger.structutils.measure.LinearError: A class indicating a plane could not be computed due to all atoms being linear
          • schrodinger.analysis.enrichment.NoActivesRankedException
          • schrodinger.test.stu.outcomes.failures.READMESyntaxError: Exception for issues with the syntax of a README file.
          • schrodinger.application.matsci.amorphous.ScaffoldError: Class for errors involving the scaffold input
      • schrodinger.application.desmond.cmj.StopRequest
      • schrodinger.application.mopac.structure_launchers.StructureLauncherError
      • schrodinger.application.matsci.mecp_mod.TerminateException
      • schrodinger.application.desmond.fepana.TimeSanityException
      • schrodinger.application.ligprep.ionizer.TolerableError: Raised when the structure could not be processed due to a non-fatal error.
      • schrodinger.application.ligprep.ionizer.TooManyGroupsError: Raised when the structure could not be processed because it has too many ionizable groups.
      • schrodinger.application.canvas.topo_descriptors.TopoError: Error raised when unable to calculate topological descriptor
      • schrodinger.structure.UndefinedStereochemistry: Raised by SmilesStructure.getStructure() when atoms with undefined chirality are present.
      • schrodinger.application.desmond.systype.UnknownAppError
      • schrodinger.application.matsci.genetic_optimization.genetic_optimization.UnknownNameError
      • schrodinger.application.matsci.genetic_optimization.genetic_optimization.UnknownPropertySuboptionError
      • schrodinger.application.desmond.systype.UnknownRuleError
      • schrodinger.test.stu.sysinfo.UnrecognizedPlatform: An unrecognized platform was found.
      • schrodinger.test.darwinconsole.UnsupportedPlatformException
      • schrodinger.application.licensing.licadmin.UsageError: This exception is thrown when unrecognized or incompatible commandline options are used.
      • schrodinger.application.licensing.lmgrd_log_parser.UsageError
      • schrodinger.analysis.visanalysis.vdexception.VDException: This is a simple Exception derived class used by the various VolumeData associated components to denote an error condition.
      • exceptions.Warning: Base class for warning categories.
        • exceptions.UserWarning: Base class for warnings generated by user code.
          • schrodinger.application.jaguar.gui.utils.JaguarSettingWarning: A warning indicating that a user-specified Jaguar settings could not be loaded into the GUI
      • schrodinger.test.stu.common.ZipError: Error while zipping up files.
  • schrodinger.job.queue.BaseJob: A base job class for jobs run under JobDJ.
    • schrodinger.application.desmond.cmj.JobAdapter: This adapts the `Job' class to the `que.BaseJob' class.
    • schrodinger.job.queue.JobControlJob: This class defines a job control job to be run under JobDJ.
      • schrodinger.application.desmond.mdpose.mdpose_glide.MDPoseGlideJob
      • schrodinger.application.desmond.mdpose.mdpose_strain_energy.MDPoseStrainJob
      • schrodinger.application.matsci.jaguarworkflows.RobustSubmissionJob: A JobControlJob object that will retry to submit multiple times for fizzled, jobs (if the queue setting is such) but will not attempt to retry a job that died.
      • schrodinger.test.stu.run.TestJCJob: Like a normal JobControlJob, but:
      • schrodinger.utils.installation_check.TestJob: A flavor of JobControlJob to be used with TestJobDJ.
    • schrodinger.job.queue.SubprocessJob: A job for running an external process.
      • schrodinger.test.stu.run.TestSPJob: Like a normal SubprocessJob job, but:
  • schrodinger.application.msv.io.seqio.BaseProteinAlignmentReader: Base class for reading protein sequence alignments from files.
    • schrodinger.application.msv.io.seqio.ClustalAlignmentReader: Class for reading Clustal *.aln files.
  • schrodinger.application.msv.io.seqio.BaseProteinAlignmentWriter: Class for writing protein alignments to files.
    • schrodinger.application.msv.io.seqio.ClustalAlignmentWriter: Class for writing Clustal *.aln files.
    • schrodinger.application.msv.io.seqio.FastaAlignmentWriter: Class for writing FASTA .fasta files.
  • schrodinger.application.desmond.antlr3.recognizers.BaseRecognizer: @brief Common recognizer functionality.
    • schrodinger.application.desmond.antlr3.recognizers.Lexer: @brief Baseclass for generated lexer classes.
      • schrodinger.application.desmond.enhanced_sampling.mexpLexer.mexpLexer
    • schrodinger.application.desmond.antlr3.recognizers.Parser: @brief Baseclass for generated parser classes.
      • schrodinger.application.desmond.antlr3.debug.DebugParser
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser
    • schrodinger.application.desmond.antlr3.tree.TreeParser: @brief Baseclass for generated tree parsers.
  • schrodinger.application.msv.utils.BaseSignalAttribute: A util class for handling emitting a signal while changing an attribute.
    • schrodinger.application.msv.gui.viewmodel.AlignmentMetricOption: This class returns a given alignment metric option, sets it to a desired boolean value and invalidates the filters for the proxy model.
  • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.basis_set_widgets.BasisSetColumns
  • schrodinger.application.desmond.simulation_block_test.Block
  • schrodinger.application.jaguar.results.BondCharge: A class to store bond-midpoint charges calculated in ESP fitting.
  • schrodinger.trajectory.BondRotator.BondRotator: perform RB scan
  • schrodinger.application.matsci.amorphous.Box: Class that defines the region a new structure may be placed in
    • schrodinger.application.matsci.amorphous.BoxWithInnerHull: A cubic Box object that contains an inner non-cubic region that limits the valid volume for the components to be placed in.
  • schrodinger.application.matsci.amorphous.BuilderWithClashDetection: The base class for the amorphous builder classes
    • schrodinger.application.matsci.amorphous.AmorphousCellBuilder: Builder for an amorphous cell
    • schrodinger.application.matsci.montecarlo.ClashChecker: A builder used just for checking for clashes during Monte Carlo simulations
  • schrodinger.application.matsci.cgforcefield.CGFFIOStructure: Manage building a coarse grain structure.
  • schrodinger.application.desmond.ffiostructure.CMSReader: A class for reading structures from a CMS format file.
  • schrodinger.application.desmond.envir.CONST
  • schrodinger.application.desmond.bennett.CalcBAR: Attributes for parsing the observables and setting up BAR calculations.
  • schrodinger.analysis.enrichment.Calculator: A class to calculate enrichment terms for a screen.
    • schrodinger.analysis.enrichment.TitleEnrichmentCalculator: SYNOPSIS
  • schrodinger.application.canvas.cluster.CanvasFingerprintCluster: A class which handles clustering of canvas fingerprints.
    • schrodinger.application.canvas.cluster.CanvasFingerprintClusterCLI: A subclass of the canvas fingerprint cluster manager which is to be used from a program with a command line interface.
    • schrodinger.application.canvas.clustergui.CanvasFingerprintClusterGUI: A subclass of the canvas fingerprint clusterer which is to be used from a program with a TKInter interface.
  • schrodinger.application.canvas.fingerprint.CanvasFingerprintGenerator: A class to encapsulate canvas finger print generation.
    • schrodinger.application.canvas.fingerprint.CanvasFingerprintGeneratorCLI: A subclass of the canvas fingerprint generator which is to be used from a program with a command line interface.
    • schrodinger.application.canvas.fingerprintgui.CanvasFingerprintGeneratorGUI: A subclass of the canvas fingerprint generator which is to be used from a program with a TKInter interface.
  • schrodinger.application.canvas.similarity.CanvasFingerprintSimilarity: A class which encapsulates the Canvas fingerprint similarity tools.
    • schrodinger.application.canvas.similarity.CanvasFingerprintSimilarityCLI: A subclass of the CanvasFingerprintSimilarity class which supports operations from the command line.
    • schrodinger.application.canvas.similaritygui.CanvasFingerprintSimilarityGUI: A subclass of the canvas fingerprint similarity manager which is to be used from a program with a TKInter interface.
  • schrodinger.infra.mmerr.Capture: Capture all mmerr in a context.
  • schrodinger.structutils.interactions.pi.CationPiInteraction: The object that stores the data for a Cation-Pi interaction
  • schrodinger.application.matsci.jobutils.CellRunInfo: Holds the information for the run for a single cell
  • schrodinger.structutils.interactions.pi.Centroid: The object that stores data about a centroid
  • schrodinger.application.desmond.mdkey.CfgAtom: This class represents the "atomic" parameters in a config file.
  • schrodinger.protein.getpdb_utility.Chain: Class to handle splitting a chain out of a PDB file.
  • schrodinger.application.matsci.rxn_channel.rxn_channel.ChannelDefinition: Manage a reaction channel definition.
  • schrodinger.application.matsci.rxn_channel.rxn_channel.ChannelDefinitions: Manage a collection of reaction channel definitions.
  • schrodinger.application.matsci.rxn_channel.rxn_channel.Channels: Manage the enumeration of reaction channels.
  • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.charge_constraints_widgets.ChargeConstraintsColumns
  • schrodinger.application.matsci.nano.xtal.CheckInput: Check user input.
  • schrodinger.application.matsci.mecp_mod.CheckInput: Manages checking input.
  • schrodinger.application.matsci.rxn_channel.rxn_channel.CheckInput: Manage checking user input.
  • schrodinger.application.matsci.nano.slab.CheckInput: Manage checking user input.
  • schrodinger.application.matsci.rxn_path.CheckInput: Check user input.
  • schrodinger.application.matsci.genetic_optimization.genetic_optimization.CheckInput: Manage checking user input.
  • schrodinger.application.matsci.nano.particle.CheckInput: Manage checking user input.
  • schrodinger.application.matsci.nano.check.CheckInput: Check user input.
    • schrodinger.application.matsci.nano.tube.CheckInput: Check user input.
    • schrodinger.application.matsci.nano.sheet.CheckInput: Check user input.
  • schrodinger.infra.canvas.ChmMol: Proxy of C++ ChmMol class
    • schrodinger.application.canvas.base.ChmMolPtr
  • schrodinger.infra.canvas.ChmRangeUIDFilter: Proxy of C++ ChmRangeUIDFilter class
    • schrodinger.infra.canvas.ChmColumnUIDFilter: Proxy of C++ ChmColumnUIDFilter class
      • schrodinger.application.canvas.base.ChmColumnUIDFilterPtr
    • schrodinger.infra.canvas.ChmRowUIDFilter: Proxy of C++ ChmRowUIDFilter class
      • schrodinger.application.canvas.base.ChmRowUIDFilterPtr
  • schrodinger.application.jaguar.reactiq_keywords.Choices
  • schrodinger.application.matsci.genetic_optimization.genetic_optimization.ClassEvaluator: Manage a class evaluator.
    • schrodinger.application.matsci.genetic_optimization.genetic_optimization.CanvasKPLS: Manage Canvas KPLS jobs.
  • schrodinger.analysis.cluster.ClusterValues
  • schrodinger.protein.getpdb_utility.Code: Class to handle all the various files for each PDB code.
  • schrodinger.structutils.color.Color: Represent a color as either an integer (colormap index), string (color name or hex "RRGGBB" value), or an RGB value (tuple/list of 3 ints, values 0-255).
  • schrodinger.application.msv.gui.color.ColorCell
  • schrodinger.structutils.color.ColorRamp: An object for calculating colors on a customizable color ramp.
  • schrodinger.application.bioluminate.pml_menus.ColorRibbonMixin
    • schrodinger.application.bioluminate.pml_menus.AutoColorObjects
      • schrodinger.application.bioluminate.pml_menus.AutoColorCarbons
    • schrodinger.application.bioluminate.pml_menus.AutoCycleColor
      • schrodinger.application.bioluminate.pml_menus.AutoCycleCarbonColor
    • schrodinger.application.bioluminate.pml_menus.ColorAtomsByBFactor
      • schrodinger.application.bioluminate.pml_menus.ColorCalphasByBFactor
    • schrodinger.application.bioluminate.pml_menus.ColorAtomsBySpectrum
      • schrodinger.application.bioluminate.pml_menus.ColorCalphasBySpectrum
      • schrodinger.application.bioluminate.pml_menus.ColorCarbonsBySpectrum
    • schrodinger.application.bioluminate.pml_menus.ColorBySubstructure
    • schrodinger.application.bioluminate.pml_menus.ColorChainbows
    • schrodinger.application.bioluminate.pml_menus.ColorChains
      • schrodinger.application.bioluminate.pml_menus.ColorChainsByCalpha
      • schrodinger.application.bioluminate.pml_menus.ColorChainsByCarbon
    • schrodinger.application.bioluminate.pml_menus.CustomColor
      • schrodinger.application.bioluminate.pml_menus.ColorCarbons
      • schrodinger.application.bioluminate.pml_menus.ColorHydrogens
      • schrodinger.application.bioluminate.pml_menus.ColorObject
    • unreachable.CustomRecentColor
      • schrodinger.application.bioluminate.pml_menus.ColorRecentCarbons
      • schrodinger.application.bioluminate.pml_menus.ColorRecentHydrogens
      • schrodinger.application.bioluminate.pml_menus.ColorRecentObjects
  • schrodinger.utils.colorscheme.ColorSchemeManager
  • schrodinger.ui.qt.table_helper.Column: A table column.
    • schrodinger.application.msv.gui.viewmodel.FixedColumn: A table column that is fixed on the left or right of the scrollable columns.
  • schrodinger.application.glide.packages.driver.CombinedDriver: A driver for running combined jobs, consisting of a gridgen job and a distributed docking job.
  • schrodinger.application.jaguar.gui.tabs.base_tab.CombinedUi: An object that provides access to widgets across multiple ui files
  • schrodinger.application.matsci.buildcomplex.ComplexBuilder: A class used to build an organometallic complex
  • schrodinger.structutils.rmsd.ConformerRmsd: A class to calculate the root mean square deviatation between the atomic coordinates of two conformer structure.Structure objects.
    • schrodinger.structutils.rmsd.ConformerRmsdX
    • schrodinger.application.jaguar.rmsd.ConformerRmsdX
  • schrodinger.application.matsci.nano.constants.Constants: Collect constants.
  • schrodinger.application.matsci.rxn_channel.rxn_channel.Constants: Manage some constants.
  • schrodinger.application.desmond.cms.Constraint
  • _abcoll.Container
    • _abcoll.Mapping: A Mapping is a generic container for associating key/value pairs.
      • _abcoll.MutableMapping: A MutableMapping is a generic container for associating key/value pairs.
        • schrodinger.application.msv.utils.IdentityMapping: An identity mapping is a dictionary for mutable objects that uses the id for the object as the key.
        • schrodinger.project_surface.SurfaceDict: A dictionary of {surface name: ProjectSurface object} for the specified project row.
    • _abcoll.Sequence: All the operations on a read-only sequence.
      • _abcoll.MutableSequence: All the operations on a read-only sequence.
        • UserList.UserList
          • schrodinger.structutils.sort.DsuList: A class to sort a list with special behaviors.
  • schrodinger.application.matsci.shapes.ConvexPolyhedron: Class to manage a convex polyhedron.
    • schrodinger.application.matsci.shapes.Cube: Class to manage a cube.
    • schrodinger.application.matsci.shapes.Cubeoctahedron: Class to manage a cubeoctahedron.
    • schrodinger.application.matsci.shapes.Dodecahedron: Class to manage a dodecahedron.
    • schrodinger.application.matsci.shapes.Icosahedron: Class to manage an icosahedron.
    • schrodinger.application.matsci.shapes.Octahedron: Class to manage an octahedron.
    • schrodinger.application.matsci.shapes.Parallelepiped: Class to manage a parallelepiped.
      • schrodinger.application.matsci.shapes.Slab: Class to manage a slab.
    • schrodinger.application.matsci.shapes.Slab: Class to manage a slab.
    • schrodinger.application.matsci.shapes.Tetrahedron: Class to manage a tetrahedron.
  • schrodinger.application.matsci.rxn_path.Coord: Manage the properties of an internal coordinate.
  • schrodinger.application.jaguar.gui.tabs.coordinates.CoordinateData: This class is a base class for constraint and scan coordinate classes.
    • schrodinger.application.jaguar.gui.tabs.optimization_tab.ConstraintCoordinateData: This class stores all data for a single constraint coordinate.
    • schrodinger.application.jaguar.gui.tabs.scan_tab.ScanCoordinateData: This class stores all data for a single scan coordinate.
  • schrodinger.application.desmond.util.Counter: This class was originally designed for the convenience of gridding widgets.
  • schrodinger.infra.util.CreateWhenNeeded: This class can be used like property() (i.e., it is a descriptor; see section 3.3.2.2 in the python reference).
  • schrodinger.application.matsci.nano.xtal.Crystal: Main class for generating crystals.
  • schrodinger.application.matsci.nano.plane.CrystalPlane: Manage a crystal plane object.
  • schrodinger.application.matsci.nano.xtal.CrystalSystems: Manage the properties of the seven crystal systems.
  • schrodinger.application.matsci.nano.xtal.CrystalSystems.Cubic: Manage the cubic system.
  • schrodinger.ui.qt.filedialog.CustomSideBarMixin
    • schrodinger.ui.qt.filedialog.FileDialog: File browser dialog with custom sidebar.
      • schrodinger.application.jaguar.gui.filedialog.FileDialogWithExtraCombo: A Qt file dialog with an extra combo box about the filename text edit
        • schrodinger.application.jaguar.gui.filedialog.ReadFileDialog: An Open dialog both with an extra combo box to specify what should be read from the specified file.
      • schrodinger.application.msv.gui.msv_widget.MSVImageExportDialog
      • schrodinger.application.bioluminate.bwidgets.SequenceFileDialog: Custom class to handle opening files related to sequences.
    • schrodinger.ui.qt.filedialog.OpenDirAsFileDialog: A file dialog tailored to allow the user to "open" directories such as projects or phase databases as if they were files.
      • schrodinger.ui.qt.filedialog.PhaseDatabaseOpenDialog: A file dialog tailored to opening Phase databases.
      • schrodinger.ui.qt.filedialog.ProjectOpenDialog: A file dialog tailored to opening Projects.
  • schrodinger.application.qsite.input.Cut: A class to handle representation and printing of general qm region cuts.
  • schrodinger.application.matsci.shapes.Cylinder: Class to manage a cylinder.
  • schrodinger.application.desmond.config.DEFAULT_SETTING
  • schrodinger.application.desmond.antlr3.dfa.DFA: @brief A DFA implemented as a set of transition tables.
    • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.DFA1
    • schrodinger.application.desmond.enhanced_sampling.mexpLexer.mexpLexer.DFA12
    • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.DFA15
    • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.DFA17
    • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.DFA18
    • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.DFA19
    • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.DFA20
    • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.DFA21
    • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.DFA22
    • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.DFA24
    • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.DFA25
  • schrodinger.application.matsci.espresso.qeoutput.DOS: Basic DOS class, based on the class from pymatgen (MIT license).
  • schrodinger.application.desmond.antlr3.dottreegen.DOTTreeGenerator: A utility class to generate DOT diagrams (graphviz) from arbitrary trees.
  • schrodinger.ui.qt.table_helper.DataMethodDecoratorMixin: A mixin for QtCore.QAbstractItemModel subclasses that use the data_method mixin.
    • schrodinger.ui.qt.table_speed_up.MultipleRolesRoleModelMixin: A mixin for models that can provide data for multiple roles at once with the MultipleRolesUserRolesEnum.MultipleRoles role.
      • schrodinger.ui.qt.table_speed_up.MultipleRolesRoleProxyMixin: A mixin for proxy models that can provide data for multiple roles at once with the MultipleRolesUserRolesEnum.MultipleRoles role.
        • schrodinger.application.msv.gui.viewmodel.AnnotationProxyModel: A proxy model that creates children rows for currently displayed annotations and adds a spacer row in between sequences.
        • schrodinger.application.msv.gui.viewmodel.BaseAdjacentAlignmentProxyModel: A base proxy model to be subclassed by other proxy models that show data related to and synchronized with an alignment but in separate, adjacent views.
          • schrodinger.application.msv.gui.viewmodel.AlignmentInclusionProxyModel: A proxy model that contains sequence inclusion for an alignment along with sequence title and chain information.
          • schrodinger.application.msv.gui.viewmodel.AlignmentMetricsProxyModel: A proxy model that contains the alignment metrics, such as percentage of identity, similarity, homology and score to the reference sequence.
        • schrodinger.application.msv.gui.viewmodel._ToggleProxyModel: A model that can be toggled between row wrapping (by setting the source to a RowWrapProxyModel) and non-row-wrapping (by setting the source to an AnnotationFilterProxyModel).
          • schrodinger.application.msv.gui.viewmodel.ToggleProxyModelCachingLayer
      • schrodinger.application.msv.gui.viewmodel.SequenceAlignmentModel: A QTable model where each row corresponds to a sequence and each column corresponds to a residue position
    • schrodinger.ui.qt.table_helper.RowBasedTableModel: A table model where data is organized in rows.
      • schrodinger.application.phase.featureselector.FeatureModel: Features model.
      • schrodinger.application.phase.phase_widgets.HypothesisModel: Hypotheses Model.
      • schrodinger.ui.qt.table_helper.RowBasedListModel: A model class for use with QtWidgets.QListView views.
        • schrodinger.ui.picking.MaestrolessLigandListModel: Model for ligand lists that can be used outside of Maestro.
      • schrodinger.application.msv.gui.viewmodel.SequenceAlignmentModel: A QTable model where each row corresponds to a sequence and each column corresponds to a residue position
      • schrodinger.ui.picking._BaseMaestrolessPickModel: Base model class for tables to enable picking structures outside of Maestro.
        • schrodinger.ui.picking.PickResidueModel: Model for tables to allow picking residues from a structure outside of Maestro.
  • schrodinger.analysis.visanalysis.volumedatautils.DataPointLocator: The DataPointLocator class is a simple utility class that allows data-points that are 'close' to a given position in space to be located easily.
  • schrodinger.application.desmond.antlr3.debug.DebugEventListener: All debugging events that a recognizer can trigger.
    • schrodinger.application.desmond.antlr3.debug.BlankDebugEventListener: A blank listener that does nothing; useful for real classes so they don't have to have lots of blank methods and are less sensitive to updates to debug interface.
    • schrodinger.application.desmond.antlr3.debug.DebugEventSocketProxy: A proxy debug event listener that forwards events over a socket to a debugger (or any other listener) using a simple text-based protocol; one event per line.
    • schrodinger.application.desmond.antlr3.debug.TraceDebugEventListener: A listener that simply records text representations of the events.
      • schrodinger.application.desmond.antlr3.debug.RecordDebugEventListener: A listener that records events as strings in an array.
  • schrodinger.infra.util.DecoratorAndContextManager: An abstract base class for context managers that can also be used to decorate functions and classes.
    • schrodinger.infra.mmerr.Level: Change mmerr level within a context or while a function is being run.
      • schrodinger.infra.mmerr.disable_mmerr: Turn off mmerr reporting within a context or while a function is being run.
    • schrodinger.test.decorate_fflag.enable_feature_flag: Provides a decorator/context manager for enabling feature flags.
      • schrodinger.test.decorate_fflag.disable_feature_flag: Disable a feature flag as either a context manager or a decorator for a unittest.TestCase or a test function.
    • schrodinger.utils.env.swap_ld_library_path: Restore LD_LIBRARY_PATH to the value that it was when we first ran a toplevel script.
  • schrodinger.application.desmond.fepana.DeltaEnergy
  • schrodinger.application.msv.gui.dendrogram_viewer.DendrogramViewer
  • schrodinger.application.desmond.fepdiff.DictDiffer: Calculate the difference between two dictionaries as: (1) items added (2) items removed (3) keys same in both but changed values (4) keys same in both and unchanged values
  • schrodinger.application.matsci.clusterstruct.Dimer: Class to hold and process a pair of neighboring molecules.
  • schrodinger.application.jaguar.results.Dipole: A class for storing dipole information.
  • schrodinger.structutils.measure.DistanceCellIterator: Iterate through neighbors of specified atoms.
  • schrodinger.application.msv.domain.annotation.DisulfideBond
  • schrodinger.application.glide.packages.driver.DockingDriver: Driver for distributing a docking job.
  • schrodinger.application.glide.packages.driver.DockingJobFilenameMixin: A mixin offering read-only properties for "derived files" that may be useful both for DockingJob and DockingSubjob objects.
    • schrodinger.application.glide.packages.driver.DockingJob: This represents the main docking job.
      • schrodinger.application.glide.packages.startup.DockingJob: Docking job subclass with an implementation of StartupInterface.
    • schrodinger.application.glide.packages.driver.DockingSubjob: Objects of this class represent docking subjobs for which the ligand input file is provided by the caller.
      • schrodinger.application.glide.packages.driver.SplitDockingSubjob: Objects of this class represent docking subjobs using a split ligand input file.
  • schrodinger.application.glide.packages.driver.DriverState: This is a convenience wrapper to access values from the 'state' table of GlideDB as properties of the DriverState object.
  • schrodinger.application.desmond.packages.topo.DuckFrame: A duck-type frame with limited interface.
  • schrodinger.application.matsci.shapes.Edge: Class to manage edges.
  • schrodinger.application.matsci.mecp_mod.EnergyAndGradients: Manage energy and gradient calls.
  • schrodinger.ui.qt.swidgets.EnforcingValidatorMixin: This is a mixin class to be added to a QValidator subclass.
    • schrodinger.application.matsci.atomicsymbolsgui.ElementValidator: A QValidator to check if the input is a partial or valid atomic symbol.
  • schrodinger.application.desmond.cmj.Engine
  • schrodinger.infra.fast3d.Engine
  • schrodinger.application.glide.packages.ensemble_optimizer.Ensemble: A simple class for storing an ensemble defined by a list of receptors
  • schrodinger.trajectory.prody.ensemble.Ensemble: A class for analysis of arbitrary conformational ensembles.
  • schrodinger.application.desmond.gui.EnsembleClassFrame: Frame that includes the Ensemble class pull-down menu and the entry fields correspondint to it.
  • schrodinger.application.glide.packages.ensemble_optimizer.EnsembleLigand: A class that provides the ligand object for storing poses and other properties of the ligand
  • schrodinger.application.glide.packages.ensemble_optimizer.EnsemblePose: A simple representation of a Pose.
  • schrodinger.application.glide.packages.ensemble_optimizer.EnsembleReceptor: A class that provides a receptor object which provides the offset attribute
  • schrodinger.application.glide.packages.ensemble_optimizer.EnsembleSelector: A class providing functions for performing ensemble selection and optimization
  • schrodinger.application.glide.ensemble_selection.Ensemble_Priority_Queue: Class implementing a priority queue for the purpose of maintaining lists of ensembles in memory during ensemble selection
  • schrodinger.project.EntryGroup: A class which represents an entry group in the project table.
  • schrodinger.application.desmond.util.EntryRestrictor: Similar to EntryFieldRestrictor, but for the 'Entry' widget instead of the 'EntryField' widget.
  • schrodinger.project.EntrySurface: A class for accessing the surfaces associated with a given entry.
  • enum.Enum: Generic enumeration.
    • schrodinger.application.msv.gui.viewconstants.AnnotationType
    • schrodinger.application.msv.domain.residue.BETA_STRAND_PROPENSITY
    • schrodinger.structure.BondType: These represent varying bond types, which are independent from bond orders.
    • schrodinger.application.msv.gui.viewconstants.ColorByAln
    • schrodinger.application.msv.gui.viewconstants.ColumnMode
    • schrodinger.application.msv.domain.annotation.Consensus
    • schrodinger.application.msv.gui.viewconstants.GroupBy
    • schrodinger.application.msv.domain.residue.HELIX_PROPENSITY
    • schrodinger.application.msv.domain.residue.HELIX_TERMINATION_TENDENCY
    • schrodinger.application.msv.gui.viewconstants.IdentityDisplayMode
    • schrodinger.application.phase.input.InputSpecs: Enumeration of valide PhaseHypothesisInputConfig specs.
    • enum.IntEnum: Enum where members are also (and must be) ints
      • schrodinger.surface.ColorFrom: Values for surface color sources.
      • schrodinger.surface.MolSurfType: Types of molecular surfaces.
      • schrodinger.surface.Style: Surface representation styles.
    • schrodinger.application.msv.gui.viewconstants.MsvMode
    • schrodinger.application.jaguar.gui.tabs.scan_tab.ScanTabNextGeom.NextGeomFrom
    • schrodinger.application.msv.domain.sequence.ProteinSequence.ORIGIN
    • schrodinger.structutils.interactions.salt_bridge.OrderBy
    • schrodinger.application.bioluminate.patch_utils.settings.PatchType
    • schrodinger.application.msv.gui.viewconstants.PlusMinus
    • schrodinger.job.launchparams.ProjectDisposition
    • schrodinger.application.msv.gui.viewconstants.ResidueFormat
    • schrodinger.application.msv.gui.viewconstants.RowType
    • schrodinger.tasks.jobtasks.RunMode
    • schrodinger.application.msv.domain.residue.SIDE_CHAIN_CHEM
    • schrodinger.application.msv.domain.residue.SOLVENT_EXPOSURE_TENDENCY
    • schrodinger.application.msv.domain.sequence.ProteinSequence.SSA_POS_TYPE
    • schrodinger.application.msv.domain.residue.STERIC_GROUP
    • schrodinger.application.jaguar.gui.utils.SpinTreatment: An enumeration of the possible spin treatment settings.
    • schrodinger.surface.StrEnum: An enum class where all values are strings.
      • schrodinger.surface.ColorBy: Values for surface color schemes.
    • schrodinger.application.msv.domain.residue.TURN_PROPENSITY
    • schrodinger.ui.qt.table_helper.TableColumns: An enum for listing table columns.
      • schrodinger.application.msv.gui.viewmodel.AlignmentInclusionColumns: An enum for the left-hand fixed columns.
      • schrodinger.application.msv.gui.viewmodel.AlignmentMetricsColumns: An enum for the right-hand fixed columns.
      • schrodinger.application.phase.featureselector.FeatureColumns
      • schrodinger.application.phase.phase_widgets.HypothesisColumns
      • schrodinger.ui.picking.PickResidueColumns
      • schrodinger.ui.picking._BasePickColumns
    • schrodinger.application.glide.xpdes.TermKeywords: XP-descriptor term keywords.
    • schrodinger.application.jaguar.gui.input_tab_widgets.UseFrom
    • schrodinger.application.msv.domain.annotation._AnnotationEnum: An enum class with a title for use in row headers.
      • schrodinger.application.msv.domain.annotation.ProteinAlignmentAnnotations.ANNOTATION_TYPES
      • schrodinger.application.msv.domain.annotation._SequenceAnnotationEnum: An enum class for annotations that apply to a single sequence (as opposed to global annotations that apply to the alignment as a whole).
        • schrodinger.application.msv.domain.annotation.ProteinSequenceAnnotations.ANNOTATION_TYPES
  • schrodinger.application.desmond.enhsamp.Env
  • schrodinger.application.matsci.equilibrium_md.EquilibriumMdBase: This is a base class for equilibrium MD subclass, and should be not be instantiated directly.
    • schrodinger.application.matsci.equilibrium_md.TrjBase: This is a base class for equilibrium MD subclass that uses trajectory, and should be not be instantiated directly.
  • schrodinger.job.host_check.Error: An Error represents an system-level issue that prevents remote commands executed via ssh from succeeding.
  • schrodinger.infra.mmerr.ErrorHandler: A class for managing mmerr handlers.
  • schrodinger.infra.exception_handler.ExceptionRecorder: A top level exception handler that writes uncaught exceptions to a folder in .schrodinger.
  • schrodinger.application.phase.create_xvol.ExcludedVolumeGenerator: Class to create excluded volumes for a given PhaseHypothesis.
  • schrodinger.application.desmond.fep_edge_data.FEPEdgeData: FEPEdgeData contains all the data related to an FEP perturbation.
    • schrodinger.application.desmond.fep_edge_data.PRMEdgeData: PRMEdgeData is an object that stores Protein Residue Mutation related data.
  • schrodinger.application.desmond.fep_edge_report_maker.FEPEdgeReportMaker
    • schrodinger.application.desmond.fep_edge_report_maker.PRMEdgeReportMaker: This class generates a PDF report for FEP+ for protein residue mutation.
  • schrodinger.application.desmond.replica_sid_generator.FEPReport
  • schrodinger.application.desmond.fep_reporter.FEPReportMaker
  • schrodinger.application.desmond.fep_scholar_util.FEPScholarMapper: This is a mapper class used by FEP Scholar GUI so that we don't need to use Canvas MCS for matching molecule atoms.
  • schrodinger.application.desmond.fep_scholar_msj_generator.FEPScholarMsjGenerator: This class generates master msj file that manages both solvent and complex legs of the FEP simulation.
  • schrodinger.application.desmond.replica_sid_generator.FEPSimulationReport
  • schrodinger.application.matsci.cgforcefield.FFIOParam: The base class for FFIO parameters such as bonds, angles, VDW parameters, exclusions, etc.
    • schrodinger.application.matsci.cgforcefield.FFIOAngle: The class that handles the FFIO angle block
    • schrodinger.application.matsci.cgforcefield.FFIOBond: The class that handles the FFIO bond block
    • schrodinger.application.matsci.cgforcefield.FFIODihedral: The class that handles the FFIO dihedral block
    • schrodinger.application.matsci.cgforcefield.FFIOExclusion: The class that handles the FFIO exclusion list block
    • schrodinger.application.matsci.cgforcefield.FFIOSite: The class that handles the FFIO site block
    • schrodinger.application.matsci.cgforcefield.FFIOVdwType: The class that handles the FFIO VdW type list block
    • schrodinger.application.matsci.cgforcefield.FFIOVdwTypesCombined: The class that handles the FFIO combined VdW block
  • schrodinger.application.matsci.shapes.Face: Class to manage faces.
  • schrodinger.application.bioluminate.protein_structure_quality.FakeMaestro
  • schrodinger.application.msv.io.seqio.FastaAlignmentReader
  • schrodinger.application.glide.glide.Feature: A list of FeaturePattern objects.
  • schrodinger.application.glide.glide.FeaturePattern: Class defining a constraint feature pattern.
  • schrodinger.application.phase.featureselector.FeatureRow: Data class that contains information about single feature in a hypothesis.
  • schrodinger.application.desmond.mdkey.FepSchedule
  • schrodinger.application.jaguar.file_logger.FileLogger: Class to store names of output files and archive them so that a single file can be registered with jobcontrol and returned from the work directory to the user.
  • schrodinger.structutils.filter.Filter: Base class for filtering structures.
    • schrodinger.structutils.filter.PropFilter: Check if a structure satisfies a given list of conditions.
    • schrodinger.structutils.filter.SmartsFilter: Check if a structure satisfies a given list of SMARTS filters.
  • schrodinger.ui.qt.table_speed_up.FlagCacheProxyMixin: A mixin for L{QAbstractItemProxyModel} subclasses to cache flags() return values.
    • schrodinger.application.msv.gui.viewmodel.ToggleProxyModelCachingLayer
  • schrodinger.application.matsci.cgforcefield.ForceField: Reads in force field data and applies it to a structure
  • logging.Formatter: Formatter instances are used to convert a LogRecord to text.
    • schrodinger.application.matsci.textlogger.GetLogger.MyFormatter: Extend logging.Formatter to customize the formats of different log levels and to textwrap the messages.
  • schrodinger.application.ligprep.ionizer.Fragment: Class representing a fragment from the ionizer library.
  • schrodinger.structutils.createfragments.FragmentCreator: This class will break up input structures into fragments based on some simple rules.
  • schrodinger.application.desmond.packages.traj.Frame: This class, as its name suggests, represents a single trajectory frame.
  • schrodinger.trajectory.atomselection.FrameAslSelection: A class for selecting atoms from frames in a given simulation using ASL.
  • schrodinger.trajectory.atomselection.FrameIndexSelection: A class that defines a static set of indices to be selected from all frames.
  • schrodinger.application.desmond.packages.msys.molfile.FrameIter
  • schrodinger.trajectory.atomselection.FrameSliceSelection: A class for efficiently selecting a range of atoms.
  • schrodinger.application.bioluminate.antibody.utils.FrameworkTemplate
  • schrodinger.application.bioluminate.antibody_utils.FrameworkTemplate
  • schrodinger.application.desmond.fepana.FreeEnergyContrib
  • schrodinger.application.jaguar.results.FukuiIndices: A class to store Atomic Fukui indices.
  • schrodinger.application.bioluminate.antibody.search_results_table.FullColumns: Constants for the full (i.e.
  • schrodinger.application.matsci.coarsegrain.FusedRing: Manage a fused ring.
  • schrodinger.application.jaguar.input.GenOptions: A class to convert keyword value pairs defined in a single string into a data structure, and allow them to be converted back into a string.
  • schrodinger.application.matsci.espresso.qeinput.GenericType: Generic class for different input types.
    • schrodinger.application.matsci.espresso.qeinput.BandsType: Class to generate QE input XML section related to bands.
    • schrodinger.application.matsci.espresso.qeinput.BasisType: Class to generate QE input XML section related to basis.
    • schrodinger.application.matsci.espresso.qeinput.BoundaryType: Class to generate QE input XML section related to boundary conditions type.
    • schrodinger.application.matsci.espresso.qeinput.CellControlType: Class to generate QE cell control XML section related to control.
    • schrodinger.application.matsci.espresso.qeinput.ControlType: Class to generate QE input XML section related to control.
    • schrodinger.application.matsci.espresso.qeinput.DftType: Class to generate QE input XML section related to dft type.
    • schrodinger.application.matsci.espresso.qeinput.ElectronControlType: Class to generate QE input XML section related to electron control.
    • schrodinger.application.matsci.espresso.qeinput.EsmType: Class to generate QE input XML section related to esm type.
    • schrodinger.application.matsci.espresso.qeinput.FreePositionsType: Class to generate QE input XML section related to Cartesian atomic constraints.
    • schrodinger.application.matsci.espresso.qeinput.IonControlType: Class to generate QE ionic control XML section related to control.
    • schrodinger.application.matsci.espresso.qeinput.KpointsType: Class to generate QE input XML section related to k-points.
    • schrodinger.application.matsci.espresso.qeinput.NEBPathType: Class to generate QE input XML section related to the NEB path.
    • schrodinger.application.matsci.espresso.qeinput.PseudopotentialsType: Class to generate QE input XML section related to pseudopotentials.
    • schrodinger.application.matsci.espresso.qeinput.SpinType: Class to generate QE input XML section related to spin.
    • schrodinger.application.matsci.espresso.qeinput.SymmetryType: Class to generate QE input XML section related to symmetry.
    • schrodinger.application.matsci.espresso.qeinput.VdwType: Class to generate QE input XML section related to vdw type.
  • schrodinger.application.matsci.genetic_optimization.genetic_optimization.GeneticOptimization: Manage the genetic optimization.
  • schrodinger.application.desmond.packages.analysis.GeomAnalyzerBase: Base class of all geometry analyzer classes
    • schrodinger.application.desmond.packages.analysis.Angle: Calculate the angle formed between three atoms.
    • schrodinger.application.desmond.packages.analysis.CenterOf: N.B.: The calculated center is an unwrapped coordinate.
      • schrodinger.application.desmond.packages.analysis.Centroid: Class for computing centroid under periodic boundary condition.
      • schrodinger.application.desmond.packages.analysis.Com: Class for computing averaged position weighted by atomic mass, under the periodic boundary condition.
        • schrodinger.application.desmond.packages.analysis.Coc: Class for computing center of charge under periodic boundary condition.
        • schrodinger.application.desmond.packages.analysis.Gyradius: Class for computing radius of gyration under periodic boundary condition.
        • schrodinger.application.desmond.packages.analysis.MassAvgVel: Class for computing mass-averaged velocity
    • schrodinger.application.desmond.packages.analysis.Distance: Calculate the distance between two atoms.
    • schrodinger.application.desmond.packages.analysis.PosTrack: Class for tracking positions of selected atoms in a trajectory.
    • schrodinger.application.desmond.packages.analysis.Ramachandran: Calculate the Phi and Psi torsions for selected atoms.
    • schrodinger.application.desmond.packages.analysis.Rdf: Calculate radial distribution function (RDF) of provided selection.
    • schrodinger.application.desmond.packages.analysis.Torsion: Calculate the torsion formed between four atoms.
    • schrodinger.application.desmond.packages.analysis.VolumeMapper: This class takes the coordinates of provided particles and maps them onto a discretized grid using kernel density estimation as implemented in scipy.
    • schrodinger.application.desmond.packages.analysis._MaestroAnalysis: All analyzer classes whose calculations require the full-system CT could inherit this base class, which will provide an intermediate data that contains a trajectory frame and a full-system CT.
      • schrodinger.application.desmond.packages.analysis.HydrogenBondFinder: Find hydrogen bonds present between two sets of atoms.
      • schrodinger.application.desmond.packages.analysis.MolecularSurfaceArea: Calculate the molecular surface area.
      • schrodinger.application.desmond.packages.analysis.PolarSurfaceArea: Calculate polar surface area for selected atoms.
      • schrodinger.application.desmond.packages.analysis.PosAlign: This analyzer first aligns the geometric center of the solute atoms to that of cms_model, then calculates the rotation/translation transformation for converting the structure (fit_aids) of a centered trajectory frame to a given geometry (fit_ref_pos) and finally applies the transformation to a position array of only the selected atoms (aids).
        • schrodinger.application.desmond.packages.analysis.RMSD: Root Mean Square Deviation from reference positions, with optional alignment fitting.
          • schrodinger.application.desmond.packages.analysis.LigandRMSD: Ligand Root Mean Square Deviation from reference positions, with optional alignment fitting.
        • schrodinger.application.desmond.packages.analysis.RMSF: Root Mean Square Fluctation from reference positions (averaged position over the trajectory) for each atom, with optional alignment fitting.
          • schrodinger.application.desmond.packages.analysis.ProteinRMSF: Root Mean Square Fluctation from reference positions (averaged positions over the trajectory) for each residue, with optional alignment fitting
      • schrodinger.application.desmond.packages.analysis.SecondaryStructure: Calculate the secondary-structure property for selected atoms.
      • schrodinger.application.desmond.packages.analysis.SolventAccessibleSurfaceArea: Calculate solvent accessible surface area for selected atoms.
      • schrodinger.application.desmond.packages.analysis.SolventAccessibleSurfaceAreaByResidue: Calculate the relative SASA broken down by residues.
  • schrodinger.application.desmond.packages.analysis.GeomCalc: We use this class to batch the geometry calculations and avoid duplications.
  • schrodinger.application.matsci.textlogger.GetLogger: Set up a textwrapped log file.
  • schrodinger.application.glide.packages.driver.Glide: High-level class for running the whole "glide_driver" process, including log file boilerplate, argument parsing, setting up the necessary driver object, and running it.
  • schrodinger.application.glide.packages.driver.GlideDB: This class encapsulates access to a database used for holding state while a distributed docking job is running.
  • schrodinger.application.glide.packages.driver.GlideJob: Base class for DockingJob and GridgenJob.
    • schrodinger.application.glide.packages.driver.DockingJob: This represents the main docking job.
      • schrodinger.application.glide.packages.startup.DockingJob: Docking job subclass with an implementation of StartupInterface.
    • schrodinger.application.glide.packages.driver.GridgenJob: Objects of this class represent a gridgen job and additionally have the machinery for running the job.
      • schrodinger.application.glide.packages.startup.GridgenJob: Gridgen job subclass with an implementation of StartupInterface.
  • schrodinger.application.glide.packages.startup.GlideLauncher: Base class for launching Glide jobs.
    • schrodinger.application.glide.packages.startup.DriverLauncher
    • schrodinger.application.glide.packages.startup.SerialLauncher
  • schrodinger.application.glide.packages.startup.GlideStartup: This class implements the overall, high-level logic of the startup script.
  • schrodinger.application.glide.gui.GlideWorkspaceMarkers: Class for marking constraints and excluded volumes in the Workspace.
  • schrodinger.application.desmond.packages.msys.Graph: Represents the chemical topology of a System
  • schrodinger.application.desmond.packages.msys.molfile.Grid
  • schrodinger.trajectory.analysis.Grid3D: A class for representing a function of 3D Cartesian coordinates discretize onto a grid.
  • schrodinger.graphics3d.gridbox.GridBox: Class for drawing a grid box to the Workspace.
  • schrodinger.graphics3d.common.Group: Class to group a bunch of primitives and draw them out.
  • schrodinger.application.msv.gui.viewmodel.GroupByAnnotationInfo: Information about a sequence annotation.
  • schrodinger.application.msv.gui.viewmodel.GroupExpansionProxyMixin: A mixin for tree models that transmit group expansion information to their view.
    • schrodinger.application.msv.gui.viewmodel.AlignmentMetricsFilterProxy: A filter proxy that displays or hides alignment metric columns.
    • schrodinger.application.msv.gui.viewmodel.BaseAdjacentAlignmentProxyModel: A base proxy model to be subclassed by other proxy models that show data related to and synchronized with an alignment but in separate, adjacent views.
      • schrodinger.application.msv.gui.viewmodel.AlignmentInclusionProxyModel: A proxy model that contains sequence inclusion for an alignment along with sequence title and chain information.
      • schrodinger.application.msv.gui.viewmodel.AlignmentMetricsProxyModel: A proxy model that contains the alignment metrics, such as percentage of identity, similarity, homology and score to the reference sequence.
    • schrodinger.application.msv.gui.viewmodel.PostAnnotationProxyMixin: A mixin for all proxies that are used after the AnnotationProxyModel.
      • schrodinger.application.msv.gui.viewmodel.PostStyleProxyMixin: A mixin for all proxies that are used after the AnnotationProxyModel.
        • schrodinger.application.msv.gui.viewmodel.ExportProxyModel: A proxy for use when generating a static image of the table.
      • schrodinger.application.msv.gui.viewmodel.RowWrapProxyModel: A proxy model that wraps rows to a specified column count.
      • schrodinger.application.msv.gui.viewmodel._ToggleProxyModel: A model that can be toggled between row wrapping (by setting the source to a RowWrapProxyModel) and non-row-wrapping (by setting the source to an AnnotationFilterProxyModel).
        • schrodinger.application.msv.gui.viewmodel.ToggleProxyModelCachingLayer
  • schrodinger.application.msv.gui.view.GroupExpansionViewMixin: A mixin for views that synchronize group expansion via the model.
    • schrodinger.application.msv.gui.view.AbstractAlignmentView
      • schrodinger.application.msv.gui.view.NoScrollAlignmentView: Alignment view without scroll bars, used in saving the entire alignment as an image.
      • schrodinger.application.msv.gui.view.ProteinAlignmentView
    • schrodinger.application.msv.gui.view.BaseFixedColumnsView: Class for fixed column views to be shown alongside an alignment view.
      • schrodinger.application.msv.gui.view.AlignmentInclusionView: View for the fixed columns to the left of the alignment that includes the structure title.
      • schrodinger.application.msv.gui.view.AlignmentInfoView: View for the fixed columns to the right of the alignment that includes sequence identity and homology.
  • schrodinger.application.matsci.nano.sheet.Grow: Manage the details of how to attach cells to the lattice of the desired shape.
  • schrodinger.application.glide.http_client.HTTPClient
  • schrodinger.application.desmond.packages.msys.Handle
    • schrodinger.application.desmond.packages.msys.Atom: Represents an atom (or pseudoparticle) in a chemical system
    • schrodinger.application.desmond.packages.msys.Bond: Represents a bond in a System
    • schrodinger.application.desmond.packages.msys.Chain: Represents a chain (of Residues) in a System
    • schrodinger.application.desmond.packages.msys.Ct: Represents a list of Chains in a System
    • schrodinger.application.desmond.packages.msys.Param: A `Param` instance is a reference to a row in a `ParamTable`.
    • schrodinger.application.desmond.packages.msys.Residue: Represents a residue (group of Atoms) in a System
    • schrodinger.application.desmond.packages.msys.Term: A `Term` is a handle for an entry in a `TermTable`.
  • schrodinger.application.desmond.multisimstartup.Help
  • schrodinger.application.desmond.starter.ui.multisim.Help
  • schrodinger.application.desmond.config._FepSchedule.Helper
  • schrodinger.application.matsci.nano.xtal.CrystalSystems.Hexagonal: Manage the hexagonal system.
  • schrodinger.application.matsci.espresso.utils.HighSymmetryKPath: Based on symmetry/bandstructure.py :: HighSymmKpath (MIT license)
  • schrodinger.application.matsci.nano.sheet.HoneycombBilayers: Create honeycomb bilayers.
  • schrodinger.application.matsci.nano.sheet.HoneycombCell: Manage cells in the honeycomb lattice.
  • schrodinger.application.matsci.nano.sheet.HoneycombLattice: Create the honeycomb lattice according to the following coordinate system:
  • schrodinger.application.matsci.nano.sheet.HoneycombUnitCell: Create a unit cell of a honeycomb lattice.
  • schrodinger.job.jobcontrol.Host: A class to encapsulate host info from the schrodinger.hosts file.
  • schrodinger.job.hunt_stub.HostEntry: HostEntry objects represent individual host entries in a schrodinger.hosts file.
  • schrodinger.job.hunt_cache.HuntCache: A HuntCache object represents a particular "hunt cache" a file that stores hunt results for re-use.
  • schrodinger.job.hunt_stub.HuntOptions: A class representing the settings that govern a 'unt' search.
  • schrodinger.application.desmond.packages.msys.HydrogenBondFinder: Find candidate hydrogen bonds.
  • schrodinger.application.qsite.input.HydrogenCap: A class to handle representation and printing of hydrogen caps for the qm region.
  • schrodinger.application.phase.phase_widgets.HypothesisRow: Data class that contains information about entry ids for a given Phase hypothesis.
  • schrodinger.test.ioredirect.IORedirect: Use to redirect stderr & stdout.
    • schrodinger.test.ioredirect.IOCapture: Use to redirect stderr & stdout to a StringIO object.
  • schrodinger.test.ioredirect.IOSilence: A context manager for doing a "deep suppression" of stdout and stderr, which will point the file descriptors to devnull.
    • schrodinger.test.ioredirect.FullIORedirect: Context manager returns an IOString with all output from stderr/stdout.
  • schrodinger.maestro.markers.Icons: Constants for marker icons
  • schrodinger.application.desmond.packages.msys.InChI: InChI holds an the result of an inchi invocation for a structure
  • schrodinger.utils.timers.IncrementalTimer: Track absolute total and incremental wall and CPU time and, optionally, times per item processed, possibly for several types of item.
  • schrodinger.application.desmond.packages.msys.IndexedFileLoader: Supports random access to multi-structure files
  • schrodinger.application.desmond.util.InfAutofill
  • schrodinger.infra.mminit.Initializer: A class to handle initialization and termination of needed mmlibs.
    • schrodinger.job.jobcontrol._JobInitializer: A class to handle class initialization and termination.
  • schrodinger.application.jaguar.gui.input_tab_widgets.InputEntriesColumns: Column constants for the selected entries table
  • schrodinger.application.jaguar.gui.input_tab_widgets_hb.InputEntriesColumnsHB: Column constants for the HB input tab entries table.
  • schrodinger.application.jaguar.gui.input_tab_widgets_pka.InputEntriesColumnsPka: Column constants for the pKa selected entries table
  • schrodinger.application.desmond.gui.InputGroup: Group Frame for showing the widgets for loading the system model.
  • schrodinger.application.jaguar.gui.base_panel.InputMultiplicityMixin: Base class for any mixin that needs to get list of entries with spin multiplicities greater than one.
    • schrodinger.application.jaguar.gui.base_panel.ExcitedStateValidatorMixin: A mixin that verifies that there are no input structures with spin multiplicity greater than one when excited state toggle is set in theory tab.
      • schrodinger.application.jaguar.gui.base_panel.StandardPanel: A convenience class for standard Jaguar panels that:
    • schrodinger.application.jaguar.gui.base_panel.PropertiesValidatorMixin: A mixin that verifies that all selected properties can be calculated for the input entries.
      • schrodinger.application.jaguar.gui.base_panel.StandardPanel: A convenience class for standard Jaguar panels that:
  • schrodinger.application.jaguar.gui.base_panel.InputTabMixin: A mixin for panels that use the Input tab.
    • schrodinger.application.jaguar.gui.base_panel.InputTabJobMixin: A mixin for panels that use the Input tab and launch "standard" Jaguar jobs (i.e.
      • schrodinger.application.jaguar.gui.base_panel.StandardPanel: A convenience class for standard Jaguar panels that:
  • schrodinger.application.matsci.espresso.qeinput.InputType: Class to generate QE input XML section related to input.
    • schrodinger.application.matsci.espresso.qeinput.NEBInputType: Class to generate QE input XML section related to NEB input.
  • schrodinger.application.desmond.antlr3.streams.IntStream: @brief Base interface for streams of integer values.
    • schrodinger.application.desmond.antlr3.streams.CharStream: @brief A source of characters for an ANTLR lexer.
      • schrodinger.application.desmond.antlr3.streams.ANTLRStringStream: @brief CharStream that pull data from a unicode string.
        • schrodinger.application.desmond.antlr3.streams.ANTLRFileStream: @brief CharStream that opens a file to read the data.
        • schrodinger.application.desmond.antlr3.streams.ANTLRInputStream: @brief CharStream that reads data from a file-like object.
    • schrodinger.application.desmond.antlr3.streams.TokenStream: @brief A stream of tokens accessing tokens from a TokenSource
      • schrodinger.application.desmond.antlr3.streams.CommonTokenStream: @brief The most common stream of tokens
        • schrodinger.application.desmond.antlr3.streams.TokenRewriteStream: @brief CommonTokenStream that can be modified.
      • schrodinger.application.desmond.antlr3.debug.DebugTokenStream
    • schrodinger.application.desmond.antlr3.tree.TreeNodeStream: @brief A stream of tree nodes
      • schrodinger.application.desmond.antlr3.tree.CommonTreeNodeStream: @brief A buffered stream of tree nodes.
  • schrodinger.application.bioluminate.interaction_calculator.InteractionCalculator: Calculate all interactions between two groups of atoms
  • schrodinger.application.bioluminate.interaction_calculator.InteractionParams: A class to store settings for interaction parameters
  • schrodinger.application.prime.residue_interaction.InteractionReader: Read the Prime residue interaction data from a structure
  • schrodinger.application.bioluminate.interaction_calculator.Interactions: Store data about all the interactions made by a single residue
  • schrodinger.application.matsci.nano.interface_mod.Interface: Manage the building of an interface model.
  • schrodinger.application.bioluminate.pml_menus.InterfaceMixin: Determine the Protein-Protein interface atoms
    • schrodinger.application.bioluminate.pml_menus.GenerateInterfaceSelection
    • schrodinger.application.bioluminate.pml_menus.InterfacePreset
  • schrodinger.application.matsci.nano.surfaces_interfaces_mod.Interfaces: Manage the enumeration of interfaces.
  • schrodinger.application.matsci.rxn_path.InternalCoords: Manage the internal coordinates of a structure.
  • schrodinger.application.matsci.coarsegrain.Internals: Manage the internal coordinates of a structure.
  • schrodinger.application.ligprep.ionizer.Ionizer: Class for ionizing structures (part of LigPrep).
  • _abcoll.Iterable
    • _abcoll.Mapping: A Mapping is a generic container for associating key/value pairs.
      • _abcoll.MutableMapping: A MutableMapping is a generic container for associating key/value pairs.
        • schrodinger.application.msv.utils.IdentityMapping: An identity mapping is a dictionary for mutable objects that uses the id for the object as the key.
        • schrodinger.project_surface.SurfaceDict: A dictionary of {surface name: ProjectSurface object} for the specified project row.
    • _abcoll.Sequence: All the operations on a read-only sequence.
      • _abcoll.MutableSequence: All the operations on a read-only sequence.
        • UserList.UserList
          • schrodinger.structutils.sort.DsuList: A class to sort a list with special behaviors.
  • schrodinger.application.jaguar.results.JaguarAtomicResults: A class for holding atomic level properties.
  • schrodinger.application.jaguar.input.JaguarInput: A class for specifying Jaguar input.
  • schrodinger.application.matsci.mecp_mod.JaguarJob: Manages a Jaguar job.
  • schrodinger.application.matsci.mecp_mod.JaguarJobs: Manages Jaguar jobs.
  • schrodinger.application.jaguar.results.JaguarOptions: A class for keeping track of specific calculation options.
  • schrodinger.application.jaguar.output.JaguarOutput: A class for accessing Jaguar output properties.
    • schrodinger.application.qsite.output.QSiteOutput: A class to hold output information from a QSite run.
  • schrodinger.application.jaguar.results.JaguarResults: A class for holding results for a specific geometry.
    • schrodinger.application.qsite.output.QSiteResults
  • schrodinger.application.desmond.cmj.Job
    • schrodinger.application.desmond.stage.AnalysisJob
      • schrodinger.application.desmond.stage.SeaJob
      • schrodinger.application.desmond.stage.TimeSeriesAnalysisJob
    • schrodinger.application.desmond.stage.DesmondJob
      • schrodinger.application.desmond.stage.FepJob
      • schrodinger.application.desmond.stage.FepanaJob
    • schrodinger.application.desmond.stage.MetadynamicsAnalysisJob
    • schrodinger.application.desmond.stage.WaterMapAnaJob
  • schrodinger.job.jobcontrol.Job: A class to access a specific record in the job database.
  • schrodinger.job.jobapi.JobAPI: Provide access to the Schrodinger Job API.
  • schrodinger.job.queue.JobDJ: Class for running commands/jobs in parallel under jobcontrol.
    • schrodinger.utils.installation_check.TestJobDJ: A flavor of JobDJ that takes a list of host entries (jobcontrol.Host objects) and lets the caller schedule exactly one job per entry.
    • schrodinger.test.stu.run.TestQueue: Like a normal JobDJ, but:
  • schrodinger.application.desmond.cmj.JobErrorHandler
  • schrodinger.application.desmond.cmj.JobOutput
    • schrodinger.application.desmond.cmj.JobInput
  • schrodinger.application.glide.packages.driver.JobRunner: This class provides an abstract interface for running a number of DockingSubjob's.
    • schrodinger.application.glide.packages.driver.JobDJRunner: JobRunner subclass for running subjobs using JobDJ.
    • schrodinger.application.glide.packages.driver.JobarrayRunner: JobRunner subclass for running subjobs using SGE job arrays.
  • schrodinger.job.launchapi.JobSpecification: This class provides a serializable job definiton and consists of a task specification along with runtime parameters.
  • schrodinger.job.launchapi.JobSpecificationArgsBuilder: A helper class to create a JobSpecification from a specific (i.e.
  • schrodinger.job.launchapi.JobSpecificationBuilder: A helper class to create a JobSpecification from an existing TaskSpecification.
  • schrodinger.application.desmond.cmj.JobStatus
  • schrodinger.application.matsci.espresso.qeoutput.KPoint: Class to hold information about a k-point.
  • schrodinger.application.desmond.mdkey.Key
  • schrodinger.application.jaguar.keywordDB.Keyword: A class to hold keyword info.
  • schrodinger.application.desmond.feputils.LabelSpinner: This object replaces a label's icon with a spinning progress icon when start() is called.
    • schrodinger.application.desmond.feputils.ProteinCheckLabelSpinner
  • schrodinger.job.launchparams.LaunchParameters: These are parameters that can change with each job launch.
  • schrodinger.application.desmond.packages.cui.LazyParser: Some argument parsers are so slow, e.g., the msys parser.
  • schrodinger.application.msv.io.converters.LegacySequenceConverter: An object that knows how to convert a legacy Sequence object into an msv ProteinSequence, complete with annotations.
  • schrodinger.utils.license.License: Class to allow easy licensing of Python scripts
  • schrodinger.application.licensing.flexlm.License: A License object represents a single FLEXlm license file.
  • schrodinger.infra.licensing.License
  • schrodinger.application.licensing.licerror.LicenseError: A LicenseError represents a license-related error.
  • schrodinger.application.licensing.licadmin.LicenseFeature: A LicenseFeature object represents a particular license feature provided by a LicenseResource.
  • schrodinger.application.licensing.flexlm.LicenseLine: A LicenseLine object represents a single line of a FLEXlm license file.
    • schrodinger.application.licensing.flexlm.Feature: Feature objects represent FEATURE or INCREMENT lines in the license file.
    • schrodinger.application.licensing.flexlm.Package: A Package object represents a single PACKAGE line in the license file.
    • schrodinger.application.licensing.flexlm.Server: Server objects represent SERVER lines in the license file.
    • schrodinger.application.licensing.flexlm.UseServer: UseServer objects represent USE_SERVER lines in the license file.
    • schrodinger.application.licensing.flexlm.Vendor: Vendor objects represent VENDOR lines in the license file.
  • schrodinger.application.licensing.licadmin.LicenseResource: A LicenseResource object represents a single license file or license server (port@host).
    • schrodinger.application.licensing.licadmin.LocalServerProcess
  • schrodinger.application.glide.packages.driver.LigWriter: Objects of this class can be used as context managers and as file-like objects (with a .write() method) to write ligands while abstracting away job-dependent aspects such as compression and file headers.
    • schrodinger.application.glide.packages.driver.PoseWriter: This is a subclass of LigWriter that also knows how to write the receptor structure at the beginning of a pv file.
  • schrodinger.application.matsci.buildcomplex.Ligand: Stores information about a ligand structure
  • schrodinger.structutils.analyze.Ligand: A putative AslLigandSearcher ligand structure with read-only data and convenience methods.
  • schrodinger.application.bioluminate.pml_menus.LigandActionMixin: Class that contains a method to restrict the asl to Ligands only
    • schrodinger.application.bioluminate.pml_menus.ExcludeOrganicFromSelection
    • schrodinger.application.bioluminate.pml_menus.GenerateLigandSelection
    • schrodinger.application.bioluminate.pml_menus.PresetAction: Base class for Preset Actions
      • schrodinger.application.bioluminate.pml_menus.AntibodyPreset
      • schrodinger.application.bioluminate.pml_menus.BAndSPreset
      • schrodinger.application.bioluminate.pml_menus.BFactorPreset
      • schrodinger.application.bioluminate.pml_menus.DefaultPreset
      • schrodinger.application.bioluminate.pml_menus.InterfacePreset
      • schrodinger.application.bioluminate.pml_menus.LigandPreset
      • schrodinger.application.bioluminate.pml_menus.PrettyPubPreset: Show the object as nice-looking cartoon ribbons
      • schrodinger.application.bioluminate.pml_menus.SimplePreset
      • schrodinger.application.bioluminate.pml_menus.TechnicalPreset
    • schrodinger.application.bioluminate.pml_menus.RestrictToOrganic
    • schrodinger.application.bioluminate.pml_menus.ShowLigandLines
    • schrodinger.application.bioluminate.pml_menus.ShowLigandSpheres
    • schrodinger.application.bioluminate.pml_menus.ShowLigandTubes
  • schrodinger.job.queue.LinkedList: A doubly linked list, providing constant time addition, size, and truth checks.
    • schrodinger.job.queue.RunningJobs: A LinkedList subclass that tracks running jobs and keeps a tally of jobs running on each machine.
  • schrodinger.job.queue.LinkedListNode: A node for the LinkedList class, holding a value, and a reference to the previous and next node in the list.
  • schrodinger.application.matsci.mecp_mod.MECP: Manages finding MECPs.
  • schrodinger.application.matsci.mecp_mod.MECPStep: Manage an MECP step, which can be an iteration or a line search iteration.
  • schrodinger.infra.mmkv.MMKVArgList: A class to provide list-like access to MMKV/MMIM array properties.
    • schrodinger.infra.mmim.MMIMArgList
  • schrodinger.application.msv.io.seqio.MMSequenceConverter: Converts sequence between mmseq and MSV sequence formats.
  • schrodinger.utils.colorscheme.MM_CScheme
    • schrodinger.structutils.color.ColorScheme: Define a Maestro color scheme.
  • schrodinger.utils.colorscheme.MM_CSchemeRule
  • schrodinger.utils.colorscheme.MM_Color
  • schrodinger.utils.colorscheme.MM_ColorRamp
  • schrodinger.utils.colorscheme.MM_ColorRampHolder
  • schrodinger.utils.colorscheme.MM_Colormap
    • schrodinger.utils.colorscheme.MM_ColormapGL
  • schrodinger.infra.licensing.MMlic3AutoExitOverride
  • schrodinger.infra.licensing.MMlic3_Init
  • schrodinger.utils.colorscheme.MMrange
  • schrodinger.application.matsci.desmondutils.MSJStringer: A base class for setting up the information and generating a string describing that information for a stage in a Desmond MSJ file.
    • schrodinger.application.matsci.desmondutils.BrownieMSJStringer: An MSJStringer class for Brownie stages
    • schrodinger.application.matsci.desmondutils.MDMSJStringer: An MSJStringer class for Molecular Dynamics stages
    • schrodinger.application.matsci.desmondutils.MSAnalysisMSJStringer: An MSJStringer class for MS MD Analysis stages
    • schrodinger.application.matsci.desmondutils.MinimizeMSJStringer: An MSJStringer class for Minimizer stages
    • schrodinger.application.matsci.desmondutils.SysbuildMSJStringer: An MSJStringer class for building systems
  • schrodinger.application.matsci.espresso.qeinput.MagSpecies: Class that defines species with starting magnetization.
  • schrodinger.tasks.mappers.MapperMixin: Mixin that can facilitate the use of parameters and mappers for storing the state of its subclasses.
  • schrodinger.application.desmond.mapper_msj_generator.MapperMsjGenerator
    • schrodinger.application.desmond.mapper_msj_generator.CovalentMsjGenerator: No support for GraphDB yet
      • schrodinger.application.desmond.mapper_msj_generator.MetalMsjGenerator: No support for GraphDB yet
      • schrodinger.application.desmond.mapper_msj_generator.ProteinMapperMsjGenerator
    • schrodinger.application.desmond.mapper_msj_generator.VacuumMsjGenerator
  • schrodinger.maestro.markers.Marker: Class to manipulate a set of markers in the Workspace by ASLs.
  • schrodinger.application.jaguar.gui.base_panel.MarkerMixin: A mixin for panels that want markers displayed only when certain tabs are active.
    • schrodinger.application.jaguar.gui.base_panel.CoordinateMarkerMixin: A mixin for marking constraints from the Scan or Optimization tabs.
      • schrodinger.application.jaguar.gui.base_panel.OptimizationAndScanMixin: A mixin that receives updates from Scan and Optimization tabs when new coordinate is added.
      • schrodinger.application.jaguar.gui.base_panel.OptimizationTabMarkerMixin: A mixin for marking constraints from the Optimization tab
        • schrodinger.application.jaguar.gui.base_panel.MultiStructurePanelMarkerMixin: A mixin for panels that contain a MultiStructureTab and an Optimization Tab.
          • schrodinger.application.jaguar.gui.base_panel.MultiStructurePanel: A convenience class for standard Jaguar panels that use a MultiStructureTab.
      • schrodinger.application.jaguar.gui.base_panel.ScanTabMarkerMixin: A mixin for marking constraints from the Scan tab
  • schrodinger.ui.qt.appframework2.markers.MarkerMixin: A mixin for adding markers and controlling their visibility.
    • schrodinger.ui.qt.appframework2.af2.App
      • schrodinger.utils.welcome_dialog_dir.base_welcome.BaseWelcome
        • schrodinger.utils.welcome_dialog.WelcomeDialog
      • schrodinger.ui.qt.appframework2.af2.JobApp
        • schrodinger.application.jaguar.gui.base_panel.BaseJaguarPanel: A base class for all Jaguar GUIs.
          • schrodinger.application.jaguar.gui.base_panel.StandardPanel: A convenience class for standard Jaguar panels that:
          • schrodinger.application.jaguar.gui.base_panel.StandardPanelNoInputTab: A convenience class for standard Jaguar panels that use a "Molecule" tab (with a basis selector) in place of an "Input" tab.
            • schrodinger.application.jaguar.gui.base_panel.MultiStructurePanel: A convenience class for standard Jaguar panels that use a MultiStructureTab.
        • schrodinger.application.desmond.gui.GuiApp: Base class of several Desmond panel GUI's (see its subclasses below).
        • schrodinger.application.matsci.guibase.MultiJobApp: Subclass of AF2 JobApp that allows launching multiple simultanious jobs.
          • schrodinger.application.matsci.guibase.MultiDesmondJobApp: Class with functionality for setting up, validating and running multiple Desmond jobs.
        • schrodinger.application.matsci.reordergui.ReorderAtomPanel: A simple panel that takes two selected entries and allows one of them to be reordered - this is mainly for testing and example purposes.
      • schrodinger.application.msv.gui.msv_gui.MSVPanel
    • schrodinger.ui.picking.ResidueRow: Class representing a residue in the active site.
      • schrodinger.ui.picking.PickResidueRow: Base class for rows to be used in models inheriting _BaseMaestrolessPickModel.
  • schrodinger.application.desmond.measurement.Measurement: Basic method for uncertainty propagation: Say we have a few measurements: x1, x2, x3, ..., and they each has a uncertainty: d1, d2, d3, ..., respectively.
  • schrodinger.application.matsci.espresso.utils.MemoryEstimator: Class to estimate RAM memory for a PW (QE) job.
  • schrodinger.application.msv.gui.menu.MenuBarActions: MenuBarActions provides a namespace for all the actions on the menu bar
    • schrodinger.application.msv.gui.menu.MaestroMenuBarActions
  • schrodinger.application.desmond.enhsamp.Meta
  • schrodinger.application.desmond.fep_scholar_util.MetaAtom: This is the meta atom class that mostly provides convinience functions.
  • schrodinger.application.matsci.montecarlo.Metropolizer: A class that runs a Monte Carlo simulation using the Metropolis algorithm
  • schrodinger.structutils.minimize.Minimizer: A class to provide force field energy and minimization.
  • schrodinger.application.matsci.equilibrium_md.MixInBlockStd: This is a base class for dividing long simulation into blocks to get standard deviation, and should be not be instantiated directly.
  • schrodinger.infra.mmobject.MmObject: An abstraction of the bookkeeping needed to create a garbage collected MM object.
    • schrodinger.infra.mmbitset.Bitset: This class represents a bitset, with each element either 1 or 0.
    • schrodinger.application.jaguar.mmjag.MmJag: A reference counting class for dealing with mmjag handles.
    • schrodinger.project.Project: Class to handle Maestro Projects.
    • schrodinger.infra.table.Table: Class to handle mmtables.
    • schrodinger.infra.mmlist.mmlist: Wrap an anderlying mmlist "instance" and provides access to its members through the python sequence syntax.
  • schrodinger.test.project_mock.MockProjectRow: Standin for the schrodinger.project.ProjectRow class for tests.
  • schrodinger.test.project_mock.MockProjectTable: Stands in for the schrodinger.project.Project class for the tests.
  • schrodinger.trajectory.prody.modeset.ModeSet: A class for providing access to subset of mode data.
  • schrodinger.application.pldb.packages.pldb_gui_shell_dir.controller_shell.ModelShell: An object containing all the final attribute values passed through the controller
  • schrodinger.utils.moduleproxy.ModuleProxy: A class to use as a placeholder for a non-essential module, raising an exception when something tries to use it.
  • schrodinger.application.matsci.nano.xtal.CrystalSystems.Monoclinic: Manage the monoclinic system.
  • schrodinger.application.matsci.montecarlo.MonteCarloMolecule: Class for treatment of a moving molecule during a Monte Carlo iteration
  • schrodinger.application.mopac.results2012.Mopac2012TextParser: Parser for the MOPAC2012 .out and .aux files.
  • schrodinger.application.mopac.mopac_launchers.MopacLauncher: This abstract base class (ABC) is designed to guide developers writing code to support future MOPAC releases.
    • schrodinger.application.mopac.mopac_launchers.MopacLauncher2012: This is the API for executing the MOPAC2012 backend as an external binary.
    • schrodinger.application.mopac.mopac_launchers.MopacLauncher71: This is the API for executing the MOPAC7.1 backend compiled from source, where we link to a shared library.
  • schrodinger.application.mopac.mopac_results.MopacResults: This abstract base class (ABC) is designed to guide developers writing code to support future MOPAC releases.
    • schrodinger.application.mopac.results2012.MopacResults2012: A class to parse and store the results of a MOPAC2012 calculation.
    • schrodinger.application.mopac.results71.MopacResults71: A class to parse and store the results of a MOPAC7.1 calculation.
  • schrodinger.application.jaguar.gui.base_panel.MultiStructureMixin: A mixin for panels that contain a MultiStructureTab.
    • schrodinger.application.jaguar.gui.base_panel.MultiStructurePanelMarkerMixin: A mixin for panels that contain a MultiStructureTab and an Optimization Tab.
      • schrodinger.application.jaguar.gui.base_panel.MultiStructurePanel: A convenience class for standard Jaguar panels that use a MultiStructureTab.
  • schrodinger.application.matsci.nano.tube.MultiWalledNanoTube: Build a multi-walled nanotube by assembling specific NanoTubes.
  • schrodinger.application.matsci.jobutils.MultijobDriver: Resubmit the driver as subjobs
  • schrodinger.ui.qt.table_speed_up.MultipleRolesRoleProxyPassthroughMixin: A mixin for proxy models that sort or filter a MultipleRolesRoleModelMixin model but don't provide or modify any data.
    • schrodinger.application.msv.gui.viewmodel.AlignmentMetricsFilterProxy: A filter proxy that displays or hides alignment metric columns.
    • schrodinger.application.msv.gui.viewmodel.ProxyMixin: A mixin class that provides functionality common to all the proxies.
      • schrodinger.application.msv.gui.viewmodel.PostReorderingProxyMixin: A mixin for all proxies that are used after the ReorderingProxyModel.
        • schrodinger.application.msv.gui.viewmodel.AnnotationProxyModel: A proxy model that creates children rows for currently displayed annotations and adds a spacer row in between sequences.
        • schrodinger.application.msv.gui.viewmodel.PostAnnotationProxyMixin: A mixin for all proxies that are used after the AnnotationProxyModel.
          • schrodinger.application.msv.gui.viewmodel.PostStyleProxyMixin: A mixin for all proxies that are used after the AnnotationProxyModel.
            • schrodinger.application.msv.gui.viewmodel.ExportProxyModel: A proxy for use when generating a static image of the table.
          • schrodinger.application.msv.gui.viewmodel.RowWrapProxyModel: A proxy model that wraps rows to a specified column count.
          • schrodinger.application.msv.gui.viewmodel._ToggleProxyModel: A model that can be toggled between row wrapping (by setting the source to a RowWrapProxyModel) and non-row-wrapping (by setting the source to an AnnotationFilterProxyModel).
            • schrodinger.application.msv.gui.viewmodel.ToggleProxyModelCachingLayer
      • schrodinger.application.msv.gui.viewmodel.ReorderingProxyModel: A proxy for reordering rows in response to either sorting or drag and drop actions.
  • schrodinger.ui.qt.table_speed_up.MultipleSpeedUpDelegatesViewMixin: A mixin for QtWidgets.QAbstractItemView subclasses that cache data using SpeedUpDelegate (or a subclass) and require multiple delegates.
    • schrodinger.ui.qt.table_speed_up.SpeedUpDelegateViewMixin: A mixin for QtWidgets.QAbstractItemView subclasses that cache data using SpeedUpDelegate (or a subclass) and use a single delegate for the entire table.
      • schrodinger.application.msv.gui.view.AbstractAlignmentView
        • schrodinger.application.msv.gui.view.NoScrollAlignmentView: Alignment view without scroll bars, used in saving the entire alignment as an image.
        • schrodinger.application.msv.gui.view.ProteinAlignmentView
      • schrodinger.application.msv.gui.view.BaseFixedColumnsView: Class for fixed column views to be shown alongside an alignment view.
        • schrodinger.application.msv.gui.view.AlignmentInclusionView: View for the fixed columns to the left of the alignment that includes the structure title.
        • schrodinger.application.msv.gui.view.AlignmentInfoView: View for the fixed columns to the right of the alignment that includes sequence identity and homology.
  • schrodinger.trajectory.prody.nma.NMA: A class for handling Normal Mode Analysis (NMA) data.
    • schrodinger.trajectory.prody.pca.PCA: A class for Principal Component Analysis (PCA) of conformational ensembles.
      • schrodinger.trajectory.prody.pca.EDA: A class for Essential Dynamics Analysis (EDA) [AA93]_.
  • schrodinger.application.matsci.nano.tube.NanoSheet: Create a sheet.HoneycombLattice that is large enough so that the nanotube sheet can be cut out from it.
  • schrodinger.application.matsci.nano.sheet.NanoSheets: Main class for making nanosheets.
  • schrodinger.application.matsci.nano.tube.NanoTube: Create a nanotube by rolling up a nanotube sheet.
  • schrodinger.application.matsci.nano.tube.NanoTubeSheet: Preprocess a nanosheet into a nanotube sheet which will be rolled up into a nanotube.
  • schrodinger.application.matsci.nano.tube.NanoTubes: Main class for making nanotubes.
  • schrodinger.application.matsci.nano.particle.Nanoparticle: Manage the building of a nanoparticle.
  • schrodinger.application.matsci.nano.sheet.NeighborType: Manage the properties of a neighbor type.
  • schrodinger.application.desmond.maestro.NewEntry: A class for representing a structure that can be included/excluded in the Workspace.
  • schrodinger.application.desmond.maestro.NewEntryGroup: A class for representing a group of Structures that can be included in or excluded from the Workspace as requested.
  • schrodinger.application.jaguar.gui.base_panel.NoInputTabJobMixin: A mixin that will add the standard Jaguar job running and writing behavior.
    • schrodinger.application.jaguar.gui.base_panel.StandardPanelNoInputTab: A convenience class for standard Jaguar panels that use a "Molecule" tab (with a basis selector) in place of an "Input" tab.
      • schrodinger.application.jaguar.gui.base_panel.MultiStructurePanel: A convenience class for standard Jaguar panels that use a MultiStructureTab.
  • schrodinger.analysis.reaction.Node: Base class for a node in a synthetic route or a retrosynthetic tree.
    • schrodinger.analysis.reaction.RetroSynthesisNode: A node in a retrosynthetic analysis tree.
    • schrodinger.analysis.reaction.RouteNode: A node in a synthetic route.
      • schrodinger.analysis.reaction.ReagentNode: A node representing a starting material in a synthetic route.
  • _pytest.main.Node: base class for Collector and Item the test collection tree.
    • _pytest.main.Collector: Collector instances create children through collect() and thus iteratively build a tree.
      • _pytest.main.FSCollector
        • _pytest.main.File: base class for collecting tests from a file.
          • schrodinger.test.pytest_customizations.ExecutableFile: A compiled executable file that should be executed as a test.
          • schrodinger.test.pytest_customizations.Makefile
    • _pytest.main.Item: a basic test invocation item.
      • schrodinger.test.pytest_customizations.ExecutableTest: Use $SCHRODINGER/run to execute a file with no arguments.
        • schrodinger.test.pytest_customizations.MakefileTest: Run the `make test` target in a directory.
        • schrodinger.test.perceptualdiff.PerceptualDiffTest: The tests that use perceptualdiff all require some boilerplate arguments:
  • schrodinger.application.desmond.enhsamp.Node
    • schrodinger.application.desmond.enhsamp.Bind
    • schrodinger.application.desmond.enhsamp.FcnCall
    • schrodinger.application.desmond.enhsamp.If
    • schrodinger.application.desmond.enhsamp.Iter
    • schrodinger.application.desmond.enhsamp.Let
    • schrodinger.application.desmond.enhsamp.Lit
    • schrodinger.application.desmond.enhsamp.Series
    • schrodinger.application.desmond.enhsamp.String
    • schrodinger.application.desmond.enhsamp.Var
  • schrodinger.application.desmond.reorder_atom.Node
  • schrodinger.application.jaguar.results.NormalMode: A class for storing normal mode results.
  • schrodinger.application.desmond.feputils.OPLSSettingManager: Simple context manager to modify and restore user's mmfile search path, if appropriate.
  • schrodinger.application.jaguar.results.Orbital: A class for storing orbital information.
  • schrodinger.application.matsci.nano.xtal.CrystalSystems.Orthorhombic: Manage the orthorhombic system.
  • schrodinger.application.matsci.espresso.qeoutput.Output: Class to deal with QE XML output parsing.
  • schrodinger.application.matsci.nano.xtal.PBCBond: Class to manage a PBC bond, i.e.
  • schrodinger.application.matsci.nano.xtal.PBCBonds: Class to manage a collection of PBC bonds.
  • schrodinger.application.matsci.espresso.qeoutput.PDOS: Class that holds partial DOS (PDOS) data.
  • schrodinger.application.bioluminate.protein_protein_docking_shared.PIPERConstraint: Container for managing constraints
  • schrodinger.application.bioluminate.protein_protein_docking_shared.PIPERDistanceConstraintPair: Object used to store the pairs of residues and the allowable distaances between them that make up a piper distance constraint.
  • schrodinger.application.pldb.packages.pldb_gui_shell_dir.client_shell.PLDBSearchClientShell: Class to handle HTTP requests
  • schrodinger.application.pldb.packages.pldb_gui_shell_dir.controller_shell.PLDBSearchControllerShell: A controller to keep track of username, password and other information that the PLDB search client uses.
  • schrodinger.application.desmond.packages.msys.ParamTable: The `ParamTable` class is a 2d table, whose rows are indexed by ``id`` and whose columns are properties; see the discussion of properties in the Overview.
  • schrodinger.application.matsci.nano.xtal.ParserWrapper: Manages the argparse module to parse user command line arguments.
  • schrodinger.application.matsci.nano.particle.ParserWrapper: Manages the argparse module to parse user command line arguments.
  • schrodinger.application.matsci.nano.interface_mod.ParserWrapper: Manages the argparse module to parse user command line arguments.
  • schrodinger.application.matsci.mecp_mod.ParserWrapper: Manages the argparse module to parse user command line arguments.
  • schrodinger.application.matsci.nano.slab.ParserWrapper: Manages the argparse module to parse user command line arguments.
  • schrodinger.application.matsci.rxn_path.ParserWrapper: Manages the argparse module to parse user command line arguments.
  • schrodinger.application.matsci.nano.surfaces_interfaces_mod.ParserWrapper: Manages the argparse module to parse user command line arguments.
  • schrodinger.application.bioluminate.patch_utils.patch_finder.Patch: Data about a single patch.
  • schrodinger.application.bioluminate.patch_utils.patch_finder.PatchFinder: Find surface patches using the output of PreAnalyzer.
  • schrodinger.application.bioluminate.patch_utils.settings.PatchSettings: Settings for all patch types (i.e.
  • schrodinger.application.bioluminate.patch_utils.settings.PatchTypeSettings: Settings for a single patch type (i.e.
  • schrodinger.application.desmond.packages.analysis.Pbc
  • schrodinger.application.phase.phase_markers.PhaseFeatureMarker: Class defining a single Phase marker.
  • schrodinger.application.phase.phase_markers.PhaseSphereMarkers: Base class that defines group of sphere markers.
    • schrodinger.application.phase.phase_markers.PhaseTolMarkers: Class that defines group of tolerance spheres.
    • schrodinger.application.phase.phase_markers.PhaseXvolMarkers: Class that defines group of spheres for the excluded volume.
  • schrodinger.infra.phase.PhpAlignCore: Proxy of C++ PhpAlignCore class
  • schrodinger.infra.phase.PhpAtomClassDescriptions: Proxy of C++ PhpAtomClassDescriptions class
  • schrodinger.infra.phase.PhpComplex: Proxy of C++ PhpComplex class
  • schrodinger.infra.phase.PhpDeltaHypo: Proxy of C++ PhpDeltaHypo class
  • schrodinger.infra.phase.PhpDeltaHypoSite: Proxy of C++ PhpDeltaHypoSite_ class
  • schrodinger.infra.phase.PhpExclVol: Proxy of C++ PhpExclVol class
  • schrodinger.infra.phase.PhpExclVolSphere: Proxy of C++ PhpExclVolSphere_ class
  • schrodinger.infra.phase.PhpFastShape: Proxy of C++ PhpFastShape class
  • schrodinger.infra.phase.PhpFastShapePair: Proxy of C++ PhpFastShapePair_ class
  • schrodinger.infra.phase.PhpFeatureClassDescriptions: Proxy of C++ PhpFeatureClassDescriptions class
  • schrodinger.infra.phase.PhpFeatureData: Proxy of C++ PhpFeatureData class
  • schrodinger.infra.phase.PhpFeatureDefinition: Proxy of C++ PhpFeatureDefinition class
  • schrodinger.infra.phase.PhpFeatureFinder: Proxy of C++ PhpFeatureFinder class
  • schrodinger.infra.phase.PhpFeaturePattern: Proxy of C++ PhpFeaturePattern class
  • schrodinger.infra.phase.PhpFeatureRules: Proxy of C++ PhpFeatureRules class
  • schrodinger.infra.phase.PhpFragPair: Proxy of C++ PhpFragPair_ class
  • schrodinger.infra.phase.PhpHiCluster: Proxy of C++ PhpHiCluster class
  • schrodinger.infra.phase.PhpHiClusterPair: Proxy of C++ PhpHiClusterPair_ class
  • schrodinger.infra.phase.PhpHypoAdaptor: Proxy of C++ PhpHypoAdaptor class
    • schrodinger.application.phase.hypothesis.PhaseHypothesis
      • schrodinger.application.phase.hypothesis.PhaseHypothesisHybrid: Phase hypothesis created from both sites which will all be converted into static fragment sites, as well as standard sites found in the given reference ligand.
      • schrodinger.application.phase.hypothesis.PhaseHypothesisStandard: Phase hypothesis created from standard sites found in the given reference ligand.
      • schrodinger.application.phase.hypothesis.PhaseHypothesisStatic: Phase hypothesis created from sites which will all be converted into static fragment sites.
  • schrodinger.infra.phase.PhpIntCoord: Proxy of C++ PhpIntCoord_ class
  • schrodinger.application.phase.packages.phase_convert_MOE.PhpMOEConverter
  • schrodinger.infra.phase.PhpProject: Proxy of C++ PhpProject class
  • schrodinger.infra.phase.PhpQSAR: Proxy of C++ PhpQSAR class
  • schrodinger.infra.phase.PhpQSARModel: Proxy of C++ PhpQSARModel_ class
  • schrodinger.infra.phase.PhpSite: Proxy of C++ PhpSite class
  • schrodinger.infra.phase.PhpSiteConstrainer: Proxy of C++ PhpSiteConstrainer class
  • schrodinger.infra.phase.PhpSiteConstraint: Proxy of C++ PhpSiteConstraint class
  • schrodinger.infra.phase.PhpSiteMask: Proxy of C++ PhpSiteMask class
  • schrodinger.infra.phase.PhpSiteMaskData: Proxy of C++ PhpSiteMaskData class
  • schrodinger.infra.phase.PhpSiteMaskGroup: Proxy of C++ PhpSiteMaskGroup class
  • schrodinger.infra.phase.PhpVolCoords: Proxy of C++ PhpVolCoords_ class
  • schrodinger.structutils.interactions.pi.PiPiInteraction: The object that stores the data for a Pi-Pi interaction
  • schrodinger.application.bioluminate.interaction_calculator.PiStackFinder: Find pi-pi interactions in proteins
  • schrodinger.ui.picking.PickResiduesChangedMixin: Mixin to provide common signals for dialogs that allow users to pick residues.
    • schrodinger.ui.picking._BaseMaestrolessPickResDialog: Base class for picking residues outside of Maestro
      • schrodinger.ui.picking.MaestrolessPickResidueDialog: Class for picking residues outside of Maestro.
  • schrodinger.application.desmond.picklejar.Picklable
    • schrodinger.application.desmond.stage.FepJob
    • schrodinger.application.desmond.stage.FepanaJob
    • schrodinger.application.desmond.cmj.StageBase
      • schrodinger.application.desmond.stage.Aacg_SiteMap_Multijob: This class runs multiple SiteMap jobs for mixed resolution cosolvent simulations
      • schrodinger.application.desmond.stage.AlignCore
      • schrodinger.application.desmond.stage.Analysis
      • schrodinger.application.desmond.stage.AssignForcefield
      • schrodinger.application.desmond.stage.BuildGeometry
      • schrodinger.application.desmond.stage.CalcDdg
      • schrodinger.application.desmond.stage.Concluder: This stage does not create any jobs for the 'cmj.QUEUE'.
      • schrodinger.application.desmond.stage.CovalentFepMapper
      • schrodinger.application.desmond.stage.DesmondExtend
      • schrodinger.application.desmond.stage.Extern
      • schrodinger.application.desmond.stage.FepAnalysis
      • schrodinger.application.desmond.stage.FepMapper
      • schrodinger.application.desmond.stage.FepMapperCleanup
      • schrodinger.application.desmond.stage.FepMapperReport
        • schrodinger.application.desmond.stage.VacuumReport
      • schrodinger.application.desmond.stage.FepMapping
      • schrodinger.application.desmond.stage.ForcefieldBuilder
      • schrodinger.application.desmond.stage.MatSciAnalysis: This class sets up and runs automatic analysis for material-science related jobs.
      • schrodinger.application.desmond.stage.McproStageBase
        • schrodinger.application.desmond.stage.McproSimulate
        • schrodinger.application.desmond.stage.McproSystemBuilder
      • schrodinger.application.desmond.stage.Multisim
        • schrodinger.application.desmond.stage.FepLauncher
      • schrodinger.application.desmond.stage.PLAnalysis: This class sets up and runs automatic analysis for protein-ligand complex
      • schrodinger.application.desmond.stage.Primer
      • schrodinger.application.desmond.stage.ProteinFepMapper
      • schrodinger.application.desmond.stage.ProteinMutationGenerator
      • schrodinger.application.desmond.stage.Simulate
        • schrodinger.application.desmond.stage.Concatenate
        • schrodinger.application.desmond.stage.FepVrun
        • schrodinger.application.desmond.stage.Minimize
        • schrodinger.application.desmond.stage.ReplicaExchange
          • schrodinger.application.desmond.stage.LambdaHopping
        • schrodinger.application.desmond.stage.Vrun
      • schrodinger.application.desmond.stage.SolvatePocket
      • schrodinger.application.desmond.stage.Stop
      • schrodinger.application.desmond.stage.SystemBuilder
      • schrodinger.application.desmond.stage.Task
      • schrodinger.application.desmond.stage.Trajectory
      • schrodinger.application.desmond.stage.Trim
      • schrodinger.application.desmond.stage.WaterMap
      • schrodinger.application.desmond.stage.WaterMapCluster
      • schrodinger.application.desmond.stage.WaterMapPostAnalysis
  • schrodinger.application.desmond.picklejar.PickleJar
  • schrodinger.application.desmond.picklejar.PickleState
  • schrodinger.application.report2d.PicturePrinter: Class for drawing structure pictures to a QPrinter for generating PDFs.
  • schrodinger.application.glide.packages.driver.PlainTextWriter: This class can be used to write plain old files emulating the interface of the StructureReader class (writing is done by calling the .append() method).
  • schrodinger.application.pldb.packages.pldb_gui_shell.PldbAppShell
  • schrodinger.application.pldb.packages.pldb_file_upload_shell.PldbFileUploadShell
  • schrodinger.application.matsci.rxn_path.Point: Collect properties of reaction path points.
  • schrodinger.application.desmond.packages.analysis.Positer: A class to create a positer object for use with the GeomCalc class.
  • schrodinger.application.bioluminate.patch_utils.patch_finder.PreAnalyzer: Perform patch finding calculations that only need to be done once per structure.
  • schrodinger.utils.preferences.Preferences: A class that allows Pythonic access to the mmpref library.
  • schrodinger.graphics3d.common.Primitive: All 3D objects derive from this class.
    • schrodinger.graphics3d.arrow.ArrowCore: Base class for drawing a 3D arrow
      • schrodinger.graphics3d.arrow.Arrow: Class for drawing a 3D arrow in OpenGL.
      • schrodinger.graphics3d.arrow.MaestroArrow: Class for creating a 3D arrow in Maestro
    • schrodinger.graphics3d.box.Box: Class to draw a 3D box in OpenGL.
    • schrodinger.graphics3d.lines.Lines: Class to draw a set of lines in OpenGL.
    • schrodinger.graphics3d.polygon.Polygon: Class to draw a flat polygon in OpenGL.
      • schrodinger.graphics3d.polygon.MaestroPolygon
    • schrodinger.graphics3d.polyhedron.Polyhedron: Class to draw a 3D polyhedron with OpenGL using the current context in whatever is the current drawable (which could be Maestro).
      • schrodinger.graphics3d.polyhedron.MaestroPolyhedronCore
        • schrodinger.graphics3d.polyhedron.MaestroCube: Class to draw a 3D cube in Maestro's Workspace.
          • schrodinger.graphics3d.polyhedron.Cube: This class is now deprecated.
        • schrodinger.graphics3d.polyhedron.MaestroDodecahedron: Class to draw a 3D dodecahedron in Maestro's Workspace.
          • schrodinger.graphics3d.polyhedron.Dodecahedron: This class is now deprecated.
        • schrodinger.graphics3d.polyhedron.MaestroIcosahedron: Class to draw a 3D icosahedron in Maestro's Workspace.
          • schrodinger.graphics3d.polyhedron.Icosahedron: This class is now deprecated.
        • schrodinger.graphics3d.polyhedron.MaestroOctahedron: Class to draw a 3D octahedron in Maestro's Workspace.
          • schrodinger.graphics3d.polyhedron.Octahedron: This class is now deprecated.
        • schrodinger.graphics3d.polyhedron.MaestroTetrahedron: Class to draw a 3D tetrahedron in Maestro's Workspace.
          • schrodinger.graphics3d.polyhedron.Tetrahedron: This class is now deprecated.
    • schrodinger.graphics3d.quadrilateral.Quadrilateral: Class to draw a 3D quadrilateral in OpenGL.
    • schrodinger.graphics3d.sphere.SphereCore: Base class for Sphere and MaestroSphere classes.
      • schrodinger.graphics3d.sphere.MaestroSphere: Class to create a 3D sphere in Maestro.
        • schrodinger.application.phase.phase_markers.PhaseSphere: Phase sphere graphics object.
      • schrodinger.graphics3d.sphere.Sphere: Class to draw a 3D sphere in OpenGL.
    • schrodinger.graphics3d.torus.TorusCore: Base class for MaestroTorus.
      • schrodinger.graphics3d.torus.MaestroTorus: Class to create a 3D torus in Maestro.
  • schrodinger.application.glide.packages.startup.PrintKeywordsActionFactory: Generate an Action object that prints the list of Glide keywords and exits as soon as the command-line option is processed.
  • schrodinger.job.queue.PriorityQueue: This is a general priority queue.
  • multiprocessing.process.Process: Process objects represent activity that is run in a separate process
    • schrodinger.trajectory.rmsd2d.RMSDMultiprocessing
  • schrodinger.application.matsci.rxn_channel.rxn_channel.Products: Manage the properties of the products that result from applying a reaction channel definition to the reactants.
  • schrodinger.application.jaguar.gui.input_tab_widgets.ProjEntry: A class for accessing data about a project table row and the associated structure
    • schrodinger.application.jaguar.gui.input_tab_widgets_pka.ProjEntryPka: A class for accessing data about a project table row and the associated structure
  • schrodinger.project.ProjectRow: ProjectRow allows access to the structure and properties of an entry in the project.
    • schrodinger.utils.pymol.RowProxy: Proxy for project table row to attach additional data.
  • schrodinger.application.jaguar.gui.base_panel.PropertiesMixin: A mixin that will send updates the Properties tab whenever the relevant settings in the "Theory" or "Molecule" tab change.
    • schrodinger.application.jaguar.gui.base_panel.StandardPanel: A convenience class for standard Jaguar panels that:
    • schrodinger.application.jaguar.gui.base_panel.StandardPanelNoInputTab: A convenience class for standard Jaguar panels that use a "Molecule" tab (with a basis selector) in place of an "Input" tab.
      • schrodinger.application.jaguar.gui.base_panel.MultiStructurePanel: A convenience class for standard Jaguar panels that use a MultiStructureTab.
  • schrodinger.application.matsci.genetic_optimization.genetic_optimization.Property: Manage a property to be used in a genetic optimization.
  • schrodinger.application.bioluminate.protein.PropertyCalculator: Class for calculating properties of proteins and protein residues.
  • schrodinger.application.desmond.packages.msys.PropertyMap
  • schrodinger.structure.PropertyName: The PropertyName class can be used to display the "user-readable" version of an entry or atom property to the user.
  • schrodinger.application.msv.domain.annotation.ProteinAlignmentAnnotations: Knows how to annotate an alignment (a collection of aligned sequences)
  • schrodinger.protein.reliability.ProteinCheckParameters
  • schrodinger.application.desmond.feputils.ProteinProcessManager: A lightweight thread that spawns the protein reliability process to run in the background.
  • schrodinger.application.bioluminate.patch_utils.patch_finder.ProteinProperties: Calculates protein properties for display on the Properties tab
  • schrodinger.application.desmond.replica_sid_generator.ProteinReport
  • schrodinger.test.structurecheck.ProteinReportCheck: This is a wrapper for ProteinReport which is used for unittesting and scientific testing.
  • schrodinger.application.jaguar.gui.tabs.base_tab.ProvidesBasisMixin: A mixin for tabs that allow the user to select a basis set.
    • schrodinger.application.jaguar.gui.tabs.input_tab.InputTab: An input tab that allows the user to specify basis sets.
      • schrodinger.application.jaguar.gui.tabs.input_tab.InputTabWithSubTabs: An Input tab with sub-tabs on the bottom.
    • schrodinger.application.jaguar.gui.tabs.molecule_tab.MoleculeTab: The standard molecule tab
      • schrodinger.application.jaguar.gui.tabs.molecule_tab.MoleculeTabNoInputSelector: A Molecule tab that does not use the input selector
    • schrodinger.application.jaguar.gui.tabs.multi_structure_tab.MultiStructureTab: A parent class for tabs that allow transition state, reactant, and product structures to be selected.
      • schrodinger.application.jaguar.gui.tabs.irc_tab.IrcTab
      • schrodinger.application.jaguar.gui.tabs.transition_state_tab.TransitionStateTab
  • schrodinger.application.jaguar.gui.tabs.base_tab.ProvidesStructuresMixin: A mixin for tabs that allow the user to select structures.
    • schrodinger.application.jaguar.gui.tabs.input_tab.InputTabBase: A tab for specifying settings for the structures currently selected in the project table.
      • schrodinger.application.jaguar.gui.tabs.input_tab.InputTab: An input tab that allows the user to specify basis sets.
        • schrodinger.application.jaguar.gui.tabs.input_tab.InputTabWithSubTabs: An Input tab with sub-tabs on the bottom.
      • schrodinger.application.jaguar.gui.tabs.input_tab.InputTabHB: An input tab that is used with Hydrogen Bond task.
      • schrodinger.application.jaguar.gui.tabs.input_tab.InputTabPka: An input tab that allows the user to specify pKa atoms.
    • schrodinger.application.jaguar.gui.tabs.multi_structure_tab.MultiStructureTab: A parent class for tabs that allow transition state, reactant, and product structures to be selected.
      • schrodinger.application.jaguar.gui.tabs.irc_tab.IrcTab
      • schrodinger.application.jaguar.gui.tabs.transition_state_tab.TransitionStateTab
    • schrodinger.application.jaguar.gui.tabs.reaction_tab.ReactionTab
  • schrodinger.application.desmond.cms.Pseudo
  • schrodinger.utils.pymol.PymolInstance: Represents a remote PyMOL instance (controlled via a one-way pipe)
    • schrodinger.utils.pymol.PymolScriptInstance: Represents a PyMOL script for deferred execution.
  • schrodinger.application.qsite.input.QMRegion: A class to provide access to a &qmregion specification and the ability to create one on the fly.
  • schrodinger.application.qsite.input.QSiteInput
  • schrodinger.application.desmond.cmj.Queue
  • schrodinger.application.matsci.rxn_channel.rxn_channel.ReactantMolecule: Manage a reactant molecule in the reactants structure object.
  • schrodinger.application.matsci.rxn_channel.rxn_channel.Reactants: Manage the properties of the reactants.
  • schrodinger.analysis.reaction.Reaction: A Reaction object represents a generic reaction, such as "amide coupling".
  • schrodinger.application.matsci.rxn_path.ReactionCoords: Manage reaction coordinates.
  • schrodinger.analysis.reaction.ReactionInstance: A ReactionInstance is the application of a Reaction to a list of reagents/precursors.
  • schrodinger.application.matsci.rxn_path.ReactionPath: Generate reaction path.
  • schrodinger.application.jaguar.reactiq_input.ReactiqInput: A class to completely specify a Reactiq calculation.
  • schrodinger.application.jaguar.reactiq_keywords.ReactiqKeyword
  • schrodinger.application.jaguar.gui.base_panel.ReadEditMixin: A mixin for panels that should include Read...
    • schrodinger.application.jaguar.gui.base_panel.StandardPanel: A convenience class for standard Jaguar panels that:
    • schrodinger.application.jaguar.gui.base_panel.StandardPanelNoInputTab: A convenience class for standard Jaguar panels that use a "Molecule" tab (with a basis selector) in place of an "Input" tab.
      • schrodinger.application.jaguar.gui.base_panel.MultiStructurePanel: A convenience class for standard Jaguar panels that use a MultiStructureTab.
  • schrodinger.application.desmond.packages.msys.molfile.SeqFile.Reader
  • schrodinger.application.desmond.packages.msys.molfile.StkFile.Reader
  • schrodinger.application.desmond.antlr3.recognizers.RecognizerSharedState: The set of fields needed by an abstract recognizer to recognize input and recover from errors etc...
  • schrodinger.application.matsci.nano.tube.Rectangle: Manage the properties of a rectangle.
  • schrodinger.application.bioluminate.pml_menus.RegionInfo
  • schrodinger.application.desmond.gui.RelaxFrame: Frame that includes the "Relax model..." check box and the relaxation protocol entry field.
  • schrodinger.application.desmond.stage.Reporter
  • schrodinger.job.queue.RequirementsJob: This is a base class that indicates a job has special requirements (e.g.
    • schrodinger.job.queue.LocalhostJob: This class should be used as a mixin on a job type that requires jobs to be run on localhost.
      • schrodinger.job.queue.SubprocessJob: A job for running an external process.
        • schrodinger.test.stu.run.TestSPJob: Like a normal SubprocessJob job, but:
  • schrodinger.application.bioluminate.patch_utils.patch_finder.ResData: Data about a single residue.
  • schrodinger.application.msv.domain.residue.Residue
  • schrodinger.ui.residueselector.ResidueGroups: Class representing the residue "groups" that appear as mixed-state checkboxes in the residue selector pop-up.
  • schrodinger.application.msv.domain.residue.ResidueType
  • schrodinger.application.desmond.cms.Restrain
  • schrodinger.test.stu.client.ResultReporter: Reporter that will upload results and files for a specific test run.
  • schrodinger.protein.reliability.Results: The Results object stores the results from a protein health check.
  • schrodinger.application.matsci.jaguarworkflows.Results: A low memory results object - because the driver ends up holding on to results for a long time and can be simultaneously holding results for a large number of calculations, we want to keep the memory footprint of each result low.
  • schrodinger.application.desmond.cmj.RetryTimer
  • schrodinger.application.desmond.antlr3.streams.RewriteOperation: @brief Internal helper class.
    • schrodinger.application.desmond.antlr3.streams.InsertBeforeOp: @brief Internal helper class.
    • schrodinger.application.desmond.antlr3.streams.ReplaceOp: @brief Internal helper class.
      • schrodinger.application.desmond.antlr3.streams.DeleteOp: @brief Internal helper class.
  • schrodinger.application.desmond.antlr3.tree.RewriteRuleElementStream: @brief Internal helper class.
    • schrodinger.application.desmond.antlr3.tree.RewriteRuleNodeStream: Queues up nodes matched on left side of -> in a tree parser.
    • schrodinger.application.desmond.antlr3.tree.RewriteRuleSubtreeStream: @brief Internal helper class.
    • schrodinger.application.desmond.antlr3.tree.RewriteRuleTokenStream: @brief Internal helper class.
  • schrodinger.structutils.rgroup_enumerate.RgroupEnumerator: Enumerate a structure using R-group sources.
  • schrodinger.application.bioluminate.pml_menus.RockData: Stores information about the current workspace rocking state
  • schrodinger.protein.rotamers.Rotamers: Manages a rotamer library for a given residue type.
  • schrodinger.analysis.reaction.RouteRenderer: A class for rendering a Route as an image.
  • schrodinger.application.msv.gui.color.RowColorScheme: A color scheme for a row in MSV
    • schrodinger.application.msv.gui.color.ConsensusSymbols
    • schrodinger.application.msv.gui.color.PositionScheme: A scheme that handles coloring residues according to the length of the sequence
    • schrodinger.application.msv.gui.color.RulerScheme
  • schrodinger.application.msv.gui.viewmodel.RowWrapInsertingChildRows: An object to store RowWrapProxyModel bookkeeping for the insertion of child rows.
  • schrodinger.application.msv.gui.viewmodel.RowWrapInsertingRows: An object to store RowWrapProxyModel bookkeeping for the insertion of top-level rows.
  • schrodinger.application.msv.gui.viewmodel.RowWrapRemovingChildRows: An object to store RowWrapProxyModel bookkeeping for the removal of child rows.
  • schrodinger.application.msv.gui.viewmodel.RowWrapRemovingRows: An object to store RowWrapProxyModel bookkeeping for the removal of top-level rows.
  • schrodinger.application.desmond.antlr3.recognizers.RuleReturnScope: Rules can return start/stop info as well as possible trees and templates.
    • schrodinger.application.desmond.antlr3.recognizers.ParserRuleReturnScope: Rules that return more than a single value must return an object containing all the values.
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.atom_return
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.bind_return
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.block_return
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.comp_return
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.decl_meta_return
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.decl_output_return
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.decl_return
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.expComp_return
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.exprOrBind_return
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.expr_return
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.factor_return
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.fcnCall_return
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.header_return
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.if__return
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.iter_return
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.meta_term_return
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.output_term_return
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.prog_return
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.series_return
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.signedExpComp_return
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.static_return
      • schrodinger.application.desmond.enhanced_sampling.mexpParser.mexpParser.varWithType_return
    • schrodinger.application.desmond.antlr3.tree.TreeRuleReturnScope: This is identical to the ParserRuleReturnScope except that the start property is a tree nodes not Token object when you are parsing trees.
  • schrodinger.test.stu.run.Runner: Runner controls all job running parameters within the backend test utility code.
  • schrodinger.structutils.interactions.salt_bridge.SaltBridgeFinder: Find salt-bridge interactions.
  • schrodinger.application.matsci.amorphous.Scaffold: A Scaffold is a structure that occupies space in a cluster of molecules but is not considered part of the system itself.
  • schrodinger.application.jaguar.scan.Scan: A class for storing information about geometry scan variables.
  • schrodinger.application.jaguar.results.ScfIteration: A simple storage class for storing info on an SCF iteration.
  • schrodinger.utils.sea.Sea: This is the base class the 'Atom', 'List', and 'Map' classes.
    • schrodinger.utils.sea.Atom: This class represents the "atomic" parameters in a config file.
      • schrodinger.utils.sea.Hydrogen
    • schrodinger.utils.sea.List: This class represents the "list" parameters in a config file.
    • schrodinger.utils.sea.Map: This class represents the "map" parameters in a config file.
      • schrodinger.application.desmond.stage.ConcatParam
  • schrodinger.application.desmond.packages.msys.molfile.SeqFile: Read csv-like files with column names in the first row
  • schrodinger.application.msv.domain.annotation.SequenceAnnotations: Knows how to annotate a sequence
    • schrodinger.application.msv.domain.annotation.ProteinSequenceAnnotations: Knows how to annotate a ProteinSequence
  • schrodinger.application.msv.io.converters.SequenceConverter: An object that knows how to construct a legacy sequence from an msv ProteinSequence.
  • schrodinger.application.msv.io.converters.SequenceGroupConverter: An object that knows how to convert a legacy SequenceGroup object into an alignment, i.e., an msv object that holds a collection a sequences together with alignment information for them.
  • schrodinger.application.msv.gui.viewmodel.SequenceInfo: Information about a single sequence.
  • schrodinger.application.licensing.licadmin.ServerInfo: A ServerInfo object represents the information reported in the lmgrd log when a license server is started.
  • schrodinger.application.jaguar.keywordDB.Setting: A class to hold keyword setting info.
  • schrodinger.ui.qt.appframework2.settings.SettingsMixin: Mixin allows an object to save/restore its own state to/from a dictionary.
    • schrodinger.ui.qt.appframework2.settings.SettingsPanelMixin
      • schrodinger.ui.qt.appframework2.af2.App
        • schrodinger.utils.welcome_dialog_dir.base_welcome.BaseWelcome
          • schrodinger.utils.welcome_dialog.WelcomeDialog
        • schrodinger.ui.qt.appframework2.af2.JobApp
          • schrodinger.application.jaguar.gui.base_panel.BaseJaguarPanel: A base class for all Jaguar GUIs.
            • schrodinger.application.jaguar.gui.base_panel.StandardPanel: A convenience class for standard Jaguar panels that:
            • schrodinger.application.jaguar.gui.base_panel.StandardPanelNoInputTab: A convenience class for standard Jaguar panels that use a "Molecule" tab (with a basis selector) in place of an "Input" tab.
              • schrodinger.application.jaguar.gui.base_panel.MultiStructurePanel: A convenience class for standard Jaguar panels that use a MultiStructureTab.
          • schrodinger.application.desmond.gui.GuiApp: Base class of several Desmond panel GUI's (see its subclasses below).
          • schrodinger.application.matsci.guibase.MultiJobApp: Subclass of AF2 JobApp that allows launching multiple simultanious jobs.
            • schrodinger.application.matsci.guibase.MultiDesmondJobApp: Class with functionality for setting up, validating and running multiple Desmond jobs.
          • schrodinger.application.matsci.reordergui.ReorderAtomPanel: A simple panel that takes two selected entries and allows one of them to be reordered - this is mainly for testing and example purposes.
        • schrodinger.application.msv.gui.msv_gui.MSVPanel
      • schrodinger.ui.qt.appframework2.settings.BaseOptionsPanel: A base class for options dialogs that report all settings via a dictionary.
        • schrodinger.application.prime.gui.analyze_energy.AnalyzeEnergyOptions
  • schrodinger.application.desmond.gui.SimOptionsFrame: Responsible for drawing the simulation options widgets, including simulation time, recording intervals and the number of frames.
  • schrodinger.structutils.filter.SingleFilter: Base class for single filters.
    • schrodinger.structutils.filter.SinglePropFilter: Check if a structure satisfies an expression testing a single property.
    • schrodinger.structutils.filter.SingleSmartsFilter: Check if a structure matches a SMARTS pattern a given number of times.
  • schrodinger.application.desmond.cms.Site
  • _abcoll.Sized
    • _abcoll.Mapping: A Mapping is a generic container for associating key/value pairs.
      • _abcoll.MutableMapping: A MutableMapping is a generic container for associating key/value pairs.
        • schrodinger.application.msv.utils.IdentityMapping: An identity mapping is a dictionary for mutable objects that uses the id for the object as the key.
        • schrodinger.project_surface.SurfaceDict: A dictionary of {surface name: ProjectSurface object} for the specified project row.
    • _abcoll.Sequence: All the operations on a read-only sequence.
      • _abcoll.MutableSequence: All the operations on a read-only sequence.
        • UserList.UserList
          • schrodinger.structutils.sort.DsuList: A class to sort a list with special behaviors.
  • schrodinger.application.matsci.genetic_optimization.genetic_optimization.Skip: Manage a skip.
    • schrodinger.application.matsci.genetic_optimization.genetic_optimization.Failure: Manage a failure.
  • schrodinger.application.bioluminate.sliderchart.SlidableLine: A line on a matplotlib plot that can be grabbed and moved by the user
    • schrodinger.application.bioluminate.sliderchart.SlidableHLine: A horizontal line on a matplotlib plot that can be grabbed and moved by the user
    • schrodinger.application.bioluminate.sliderchart.SlidableVLine: A vertical line on a matplotlib plot that can be grabbed and moved by the user
  • schrodinger.application.desmond.replica_sid_generator.SmallMoleculeReport
  • schrodinger.application.desmond.packages.msys.SmartsPattern: A class representing a compiled SMARTS pattern
  • schrodinger.structure.SmilesStructure: SMILES representation of a Structure that is returned by SmilesReader and SmilesCsvReader.
  • schrodinger.application.desmond.packages.traj.Source
    • schrodinger.application.desmond.packages.traj.DtrSource
  • schrodinger.application.matsci.nano.xtal.SpaceGroup: Collect the properties of a space group.
  • schrodinger.application.matsci.nano.xtal.SpaceGroups: Manage space group objects.
  • schrodinger.application.desmond.packages.msys.SpatialHash: SpatialHash provides an interface for efficient spatial queries on particle positions.
  • schrodinger.structutils.ringspear.Spear: Contains the atom indexes involved in a ring spear and formats the data in a user-readable string
  • schrodinger.structutils.ringspear.SpearRing: Computes and holds information about a ring, and finds bonds that spear that ring.
  • schrodinger.application.ligprep.ionizer.Spec: This class represents a specification line in the ionizer data file.
  • schrodinger.application.matsci.clusterstruct.SpeciesData: Tracks information about each chemically distinct molecule in a system
  • schrodinger.application.matsci.shapes.Sphere: Class to manage a sphere.
  • schrodinger.application.jaguar.gui.theory_tab_widgets.SpinExcitedStateController: Controller to facilitate interaction between widget that defines spin treatment options, excited state widget and Hamiltonian widget.
  • schrodinger.application.bioluminate.antibody.search_results_table.SplitColumns: Constants for the split table columns (i.e.
  • schrodinger.application.jaguar.gui.base_panel.StandardStatusMixin: A mixin that will add the standard Jaguar status bar text to a Jaguar panel.
    • schrodinger.application.jaguar.gui.base_panel.StandardPanel: A convenience class for standard Jaguar panels that:
    • schrodinger.application.jaguar.gui.base_panel.StandardPanelNoInputTab: A convenience class for standard Jaguar panels that use a "Molecule" tab (with a basis selector) in place of an "Input" tab.
      • schrodinger.application.jaguar.gui.base_panel.MultiStructurePanel: A convenience class for standard Jaguar panels that use a MultiStructureTab.
  • schrodinger.application.desmond.starter.starter.Starter
  • schrodinger.application.desmond.multisimstartup.Startup
  • schrodinger.application.glide.packages.startup.StartupInterface: Interface for Glide jobs with helper functions needed for startup.
    • schrodinger.application.glide.packages.startup.CombinedJob: Combined job class; mainly an aggregate of a DockingJob and a GridgenJob which delegates to each subclass and combines the results.
    • schrodinger.application.glide.packages.startup.DockingJob: Docking job subclass with an implementation of StartupInterface.
    • schrodinger.application.glide.packages.startup.GridgenJob: Gridgen job subclass with an implementation of StartupInterface.
  • schrodinger.application.licensing.licadmin.Status: A Status object represents the "health" of a license resource.
  • schrodinger.tasks.tasks.Status
  • schrodinger.application.matsci.jaguarworkflows.Step: Manages the start, monitoring and finish of a single step in a workflow
    • schrodinger.application.matsci.jaguarworkflows.FrozenStep: A step that does not perform geometry optimization but just runs a calculation at the geometry of the parent step.
    • schrodinger.application.matsci.jaguarworkflows.OptStep: A step that performs a geometry optimization
  • schrodinger.application.desmond.packages.msys.molfile.StkFile: Generalized stk file: handles any molfile format that provides times
  • schrodinger.application.matsci.jobutils.StringCleaner: Manages the cleaning of strings.
  • schrodinger.application.bioluminate.propfilter.StringDatabaseCriterion: Holds a criterion for a string property and determines whether a database object or structure meets that criterion
    • schrodinger.application.bioluminate.propfilter.BooleanDatabaseCriterion
    • schrodinger.application.bioluminate.propfilter.NumericalDatabaseCriterion
  • schrodinger.utils.mmutil.StringStringMap
  • schrodinger.application.desmond.fep_struc.Struc
    • schrodinger.application.desmond.fep_struc.SchrodStruc: A `Struc' subclass based on Schrodinger's infrastructure
  • schrodinger.application.desmond.packages.viparr1.viparr.viparr.Struct
  • schrodinger.structutils.structalign.StructAlign: This is the class used to perform the structural alignment.
  • schrodinger.structutils.interactionfp.StructuralInteractionFingerprintGenerator: A class which generates Structural Interaction Fingerprints.
  • schrodinger.structure.Structure: A general chemical structure object, which may contain multiple molecules.
    • schrodinger.application.desmond.cms.Cms
    • schrodinger.trajectory.cmsstructure.CmsStructure: CmsStructure represents a complete description of Desmond model system, which includes one full ct and several component cts.
    • schrodinger.application.desmond.ffiostructure.FFIOStructure: Class to create python interface to force field data.
    • schrodinger.structure.TextualStructure: A sub-class of Structure for use when reading from a Maestro format file and only the structure-level properties are needed.
  • schrodinger.application.msv.io.seqio.StructureConverter
  • schrodinger.application.mopac.structure_launchers.StructureLauncher: A class for running MOPAC calculations on a Structure object.
  • schrodinger.application.matsci.espresso.qeinput.StructureType: Class to generate QE input XML section related to structure.
  • schrodinger.application.jaguar.gui.base_panel.SubTabMixin: A mixin for panels that contain an InputTab with sub-tabs.
  • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.base_widgets.SubTabRow: An object representing a single row of the table.
    • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.charge_constraints_widgets.ChargeConstraintRow: Data about a charge constraint setting
    • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.basis_set_widgets.PerAtomBasisRow: Data about a per-atom basis set setting
  • schrodinger.application.glide.packages.driver.SubjobGenerator: A SubjobGenerator is an iterable that yields DockingSubjob objects given a DockingJob object and a GlideDB.
  • schrodinger.application.glide.packages.driver.SubjobState: This class provides read access to the contents of the state file for a subjob, <jobname>_state.json.
  • schrodinger.application.glide.packages.glide_subset.SubsetReader: Helper class for scanning subset files.
  • schrodinger.trajectory.analysis.Superimposer
  • schrodinger.application.matsci.nano.slab.Surface: Manage the building of a surface model.
  • schrodinger.surface.Surface: A Pythonic wrapping for mmsurf surfaces that are not associated with a project entry.
    • schrodinger.project_surface.ProjectSurface: A Pythonic wrapping for mmsurf surfaces retrieved from a project.
  • schrodinger.application.matsci.nano.surfaces_interfaces_mod.Surfaces: Manage the enumeration of surfaces.
  • schrodinger.application.matsci.nano.surfaces_interfaces_mod.SurfacesInterfaces: Manage the enumeration of surfaces and interfaces.
  • schrodinger.infra.mmjob.SwigDoubleVector
  • schrodinger.utils.colorscheme.SwigDoubleVector
  • schrodinger.infra.mmgpgpu.SwigDoubleVector
  • schrodinger.infra.phase.SwigDoubleVector: Proxy of C++ std::vector<(double)> class
  • schrodinger.infra.mmsurf.SwigDoubleVector
  • schrodinger.infra.mmgpgpu.SwigDoubleVector3
  • schrodinger.infra.mmjob.SwigDoubleVector3
  • schrodinger.utils.colorscheme.SwigDoubleVector3
  • schrodinger.infra.mmsurf.SwigDoubleVector3
  • schrodinger.utils.colorscheme.SwigIntIntPair
  • schrodinger.infra.mmgpgpu.SwigIntIntPair
  • schrodinger.infra.mmjob.SwigIntIntPair
  • schrodinger.infra.mmsurf.SwigIntIntPair
  • schrodinger.infra.phase.SwigIntVector: Proxy of C++ std::vector<(int)> class
  • schrodinger.utils.colorscheme.SwigIntVector
  • schrodinger.infra.mmsurf.SwigIntVector
  • schrodinger.infra.mmgpgpu.SwigIntVector
  • schrodinger.infra.mmjob.SwigIntVector
  • schrodinger.infra.mmsurf.SwigPyIterator
  • schrodinger.infra.fast3d.SwigPyIterator
  • schrodinger.infra.phase.SwigPyIterator: Proxy of C++ swig::SwigPyIterator class
  • schrodinger.utils.mmutil.SwigPyIterator
  • schrodinger.utils.colorscheme.SwigPyIterator
  • schrodinger.infra.mmgpgpu.SwigPyIterator
  • schrodinger.infra.mmjob.SwigPyIterator
  • unreachable.SwigPyObject: Swig object carries a C/C++ instance pointer
    • schrodinger.infra.structure.AtomPairWithValue: schrodinger::structure_interaction::AtomPairWithValue
    • schrodinger.infra.structure.AtomQueryParams: schrodinger::structure_interaction::AtomQueryParams
    • schrodinger.infra.structure.CellMatchAtom: schrodinger::CellMatchAtom
    • schrodinger.infra.structure.ContactParams: schrodinger::structure_interaction::ContactParams
      • schrodinger.infra.structure.SaltBridgeParams: schrodinger::structure_interaction::SaltBridgeParams
    • schrodinger.infra.structure.DistanceCell: schrodinger::DistanceCell
    • schrodinger.infra.structure.DoubleDoubleList: std::vector< std::vector< double > >
    • schrodinger.infra.structure.DoubleList: std::vector< double >
    • schrodinger.application.epik.pyepik.Fragmenter: epik::Fragmenter
    • schrodinger.infra.structure.IOException: schrodinger::IOException
      • schrodinger.infra.structure.StructureReaderException: schrodinger::StructureReaderException
    • schrodinger.infra.structure.InteractionAtomPair: schrodinger::structure_interaction::InteractionAtomPair
      • schrodinger.infra.structure.SaltBridge: schrodinger::structure_interaction::SaltBridge
    • schrodinger.infra.structure.Mmpdbx: schrodinger::Mmpdbx
    • schrodinger.infra.structure.PBC: schrodinger::PBC
    • schrodinger.infra.structure.PdbMmpdbxAtom: ::PdbMmpdbxAtom
      • schrodinger.infra.structure.MmpdbxAtom: schrodinger::MmpdbxAtom
    • schrodinger.infra.structure.PiCationInteraction: schrodinger::structure_interaction::PiCationInteraction
    • schrodinger.infra.structure.PiCationParams: schrodinger::structure_interaction::PiCationParams
    • schrodinger.infra.structure.PiPiInteraction: schrodinger::structure_interaction::PiPiInteraction
    • schrodinger.infra.structure.PiPiParams: schrodinger::structure_interaction::PiPiParams
    • schrodinger.infra.structure.ResidueID: ::ResidueID
    • schrodinger.infra.structure.StringList: std::vector< std::string >
    • schrodinger.infra.structure.Structure: schrodinger::Structure
    • schrodinger.infra.structure.StructureAtom: schrodinger::StructureAtom
    • schrodinger.infra.structure.StructureIterator: schrodinger::StructureIterator
    • schrodinger.infra.structure.StructureReader: schrodinger::StructureReader
      • schrodinger.infra.structure.StructureFileReader: schrodinger::StructureFileReader
        • schrodinger.infra.structure.MaestroReader: schrodinger::MaestroReader
        • schrodinger.infra.structure.MmpdbxReader: schrodinger::MmpdbxReader
        • schrodinger.infra.structure.Mol2Reader: schrodinger::Mol2Reader
        • schrodinger.infra.structure.PdbReader: schrodinger::PdbReader
        • schrodinger.infra.structure.SdReader: schrodinger::SdReader
    • schrodinger.infra.structure.StructureRing: schrodinger::StructureRing
    • schrodinger.infra.structure.SwigAtomList: std::vector< schrodinger::StructureAtom >
    • schrodinger.infra.structure.SwigAtomPairList: std::vector< schrodinger::structure_interaction::InteractionAtomPair >
    • schrodinger.infra.structure.SwigAtomPairWithValueList: std::vector< schrodinger::structure_interaction::AtomPairWithValue >
    • schrodinger.infra.structure.SwigAtomQueryParamsList: std::vector< boost::shared_ptr< schrodinger::structure_interaction::AtomQueryParams > >
    • schrodinger.infra.structure.SwigDcNonPbcAtomIdxList: std::vector< int >
    • schrodinger.infra.structure.SwigDcPbcAtomList: std::vector< schrodinger::CellMatchAtom >
    • schrodinger.application.epik.pyepik.SwigDoubleVector: std::vector< double >
    • schrodinger.application.epik.pyepik.SwigDoubleVector3: std::vector< std::vector< std::vector< double > > >
    • schrodinger.application.epik.pyepik.SwigIntIntPair: std::pair< int,int >
    • schrodinger.application.epik.pyepik.SwigIntVector: std::vector< int >
    • schrodinger.infra.structure.SwigPiCationList: std::vector< schrodinger::structure_interaction::PiCationInteraction >
    • schrodinger.infra.structure.SwigPiPiInteractionList: std::vector< schrodinger::structure_interaction::PiPiInteraction >
    • schrodinger.application.epik.pyepik.SwigPyIterator: swig::SwigPyIterator
    • schrodinger.infra.structure.SwigPyIterator: swig::SwigPyIterator
    • schrodinger.infra.structure.SwigRingList: std::vector< boost::shared_ptr< schrodinger::StructureRing > >
    • schrodinger.infra.structure.SwigSaltBridgeList: std::vector< schrodinger::structure_interaction::SaltBridge >
    • schrodinger.application.epik.pyepik.SwigStringVector: std::vector< std::string >
    • schrodinger.application.epik.pyepik.SwigUInt64Vector: std::vector< uint64,std::allocator< uint64 > >
    • schrodinger.application.epik.pyepik.SwigUnsignedIntVector: std::vector< unsigned int >
    • schrodinger.application.epik.pyepik.SwigUnsignedIntVector2: std::vector< std::vector< unsigned int > >
    • schrodinger.application.epik.pyepik.SwigVectorIntIntPair: std::vector< std::pair< int,int > >
    • schrodinger.application.epik.pyepik.TautomerEnumerator: epik::TautomerEnumerator
    • schrodinger.application.epik.pyepik.istream: std::istream
      • schrodinger.application.epik.pyepik.ifstream: std::ifstream
    • schrodinger.application.epik.pyepik.ostream: std::ostream
      • schrodinger.application.epik.pyepik.ofstream: std::ofstream
        • schrodinger.application.epik.pyepik.TemporaryOFStream: A subclass of ofstream that uses the tempfile module to get a temporary filename and automatically deletes itself at garbage collection.
    • schrodinger.infra.structure.residue_occupancy: ::residue_occupancy
  • schrodinger.infra.phase.SwigSizetVector: Proxy of C++ std::vector<(size_t)> class
  • schrodinger.infra.mmsurf.SwigStringVector
  • schrodinger.utils.colorscheme.SwigStringVector
  • schrodinger.infra.phase.SwigStringVector: Proxy of C++ std::vector<(std::string)> class
  • schrodinger.infra.mmjob.SwigStringVector
  • schrodinger.infra.mmgpgpu.SwigStringVector
  • schrodinger.infra.mmsurf.SwigUInt64Vector
  • schrodinger.utils.colorscheme.SwigUInt64Vector
  • schrodinger.infra.mmgpgpu.SwigUInt64Vector
  • schrodinger.infra.mmjob.SwigUInt64Vector
  • schrodinger.infra.mmjob.SwigUnsignedIntVector
  • schrodinger.infra.mmsurf.SwigUnsignedIntVector
  • schrodinger.utils.colorscheme.SwigUnsignedIntVector
  • schrodinger.infra.mmgpgpu.SwigUnsignedIntVector
  • schrodinger.infra.mmjob.SwigUnsignedIntVector2
  • schrodinger.utils.colorscheme.SwigUnsignedIntVector2
  • schrodinger.infra.mmsurf.SwigUnsignedIntVector2
  • schrodinger.infra.mmgpgpu.SwigUnsignedIntVector2
  • schrodinger.infra.phase.SwigVectorDoubleVector: Proxy of C++ std::vector<(std::vector<(double)>)> class
  • schrodinger.utils.colorscheme.SwigVectorIntIntPair
  • schrodinger.infra.mmsurf.SwigVectorIntIntPair
  • schrodinger.infra.mmjob.SwigVectorIntIntPair
  • schrodinger.infra.mmgpgpu.SwigVectorIntIntPair
  • schrodinger.infra.phase.SwigVectorIntVector: Proxy of C++ std::vector<(std::vector<(int)>)> class
  • schrodinger.infra.phase.SwigVectorSizetVector: Proxy of C++ std::vector<(std::vector<(size_t)>)> class
  • schrodinger.infra.phase.SwigVectorStringVector: Proxy of C++ std::vector<(std::vector<(std::string)>)> class
  • schrodinger.application.matsci.nano.sheet.SymmetryEquiv: Manage symmetry equivalent positions in the unit cell.
  • schrodinger.application.desmond.packages.enhanced_sampling.FcnTypes.Syntax
    • schrodinger.application.desmond.packages.enhanced_sampling.FcnTypes.ArraySyntax
    • schrodinger.application.desmond.packages.enhanced_sampling.FcnTypes.BinaryThreadSyntax
    • schrodinger.application.desmond.packages.enhanced_sampling.FcnTypes.MetaSyntax
    • schrodinger.application.desmond.packages.enhanced_sampling.FcnTypes.RMSDSyntax
    • schrodinger.application.desmond.packages.enhanced_sampling.FcnTypes.SimpleSyntax
    • schrodinger.application.desmond.packages.enhanced_sampling.FcnTypes.ThreadSyntax
  • schrodinger.application.desmond.enhanced_sampling.FcnTypes.Syntax
    • schrodinger.application.desmond.enhanced_sampling.FcnTypes.ArraySyntax
    • schrodinger.application.desmond.enhanced_sampling.FcnTypes.BinaryThreadSyntax
    • schrodinger.application.desmond.enhanced_sampling.FcnTypes.MetaSyntax
    • schrodinger.application.desmond.enhanced_sampling.FcnTypes.RMSDSyntax
    • schrodinger.application.desmond.enhanced_sampling.FcnTypes.SimpleSyntax
    • schrodinger.application.desmond.enhanced_sampling.FcnTypes.ThreadSyntax
  • schrodinger.analysis.reaction.Synthesizer: A Synthesizer is a "machine" that given a RouteNode, knows how to apply all the reactions in the RouteNode in the right order to a list of starting materials to give the final product.
  • schrodinger.application.desmond.systype.SysType
  • schrodinger.application.desmond.packages.msys.System: The `System` class holds all structure and forcefield data for a single chemical system.
  • schrodinger.application.matsci.builderwidgets.TMLigandRowMixin: A mixin class that takes care of minimizing bidentate transition metal complex ligand structures so that they remain planar through the R1-...-R2 bond path.
  • schrodinger.job.launchapi.TaskSpecification: A class that holds the information necessary to run a task on a compute resource.
  • schrodinger.job.launchapi.TaskSpecificationBuilder: A class for building up a TaskSpecification from a specific list of command-line arguments.
  • schrodinger.application.jaguar.gui.base_panel.TaskStatusMixin: A mixin that will add the task name to the status bar text.
  • schrodinger.application.desmond.packages.msys.TermTable: Each TermTable is intended to describe a specific type of interaction, e.g.
  • schrodinger.application.desmond.simulation_block_test.Test
    • schrodinger.application.desmond.simulation_block_test.BoxSize
    • schrodinger.application.desmond.simulation_block_test.E_f
    • schrodinger.application.desmond.simulation_block_test.E_k
    • schrodinger.application.desmond.simulation_block_test.E_x
    • schrodinger.application.desmond.simulation_block_test.Energy
    • schrodinger.application.desmond.simulation_block_test.Job_Details
    • schrodinger.application.desmond.simulation_block_test.PotentialEnergy
    • schrodinger.application.desmond.simulation_block_test.Pressure
    • schrodinger.application.desmond.simulation_block_test.T_0
    • schrodinger.application.desmond.simulation_block_test.Temperature
    • schrodinger.application.desmond.simulation_block_test.V
  • schrodinger.test.performance.reporter.Test: A performance test.
  • unittest.case.TestCase: A class whose instances are single test cases.
    • schrodinger.application.glide.packages.testing.GlideTestBase: Base class for Glide tests: changes to the build directory before running each test.
      • schrodinger.application.glide.packages.testing.GlideSystemTest
    • schrodinger.test.performance.api.PerformanceTestCase: Unittest TestCase that reports results during tearDownClass
    • schrodinger.test.custom_test_classes.ProjectTestCase: A unit test class that uses a project.
    • schrodinger.test.custom_assertions.StructureAssertionsTestCase: "Convenience" class to allow structural assertions to be called similarly to built in assertions.
      • schrodinger.test.custom_test_classes.StructureTestCase: A unit test class that reads in a structure.
  • schrodinger.test.stu.run.TestJob: Interface for the TestJCJob and TestSPJob classes
    • schrodinger.test.stu.run.TestJCJob: Like a normal JobControlJob, but:
    • schrodinger.test.stu.run.TestSPJob: Like a normal SubprocessJob job, but:
  • schrodinger.test.stu.testscripts.TestScript
  • schrodinger.application.desmond.util.TestSuite: A small and tight class designed for unit tests.
  • schrodinger.test.stu.base_executable.TestUtility
  • schrodinger.application.matsci.nano.xtal.CrystalSystems.Tetragonal: Manage the tetragonal system.
  • schrodinger.application.jaguar.textparser.TextParser: A parser to create a JaguarOutput object from a Jaguar output file.
    • schrodinger.application.qsite.output.QSiteTextParser: A subclass of the Jaguar output text parser that adds QSite specific parsing.
  • schrodinger.application.jaguar.results.ThermoCollection: A class to store a full set of calculated thermodynamic properties at a given temperature.
  • schrodinger.application.jaguar.results.ThermoProp: A class to store the components of calculated thermodynamic properties.
  • schrodinger.application.desmond.cmj.Job.Time
  • schrodinger.application.desmond.packages.timer.Timer: You can use this class to create your own timer function with custom default behavior.
  • schrodinger.application.desmond.antlr3.tokens.Token: @brief Abstract token baseclass.
    • schrodinger.application.desmond.antlr3.tokens.ClassicToken: @brief Alternative token implementation.
    • schrodinger.application.desmond.antlr3.tokens.CommonToken: @brief Basic token implementation.
  • schrodinger.application.desmond.antlr3.recognizers.TokenSource: @brief Abstract baseclass for token producers.
    • schrodinger.application.desmond.antlr3.recognizers.Lexer: @brief Baseclass for generated lexer classes.
      • schrodinger.application.desmond.enhanced_sampling.mexpLexer.mexpLexer
  • schrodinger.application.canvas.topo_descriptors.TopologicalDescriptors
  • schrodinger.analysis.transformations.TransformsRepository
  • schrodinger.application.jaguar.gui.tabs.transition_state_tab.TransitionStateMixin
    • schrodinger.application.jaguar.gui.tabs.transition_state_tab.TransitionStateTab
  • schrodinger.application.desmond.antlr3.tree.Tree: @brief Abstract baseclass for tree nodes.
    • schrodinger.application.desmond.antlr3.tree.BaseTree: @brief A generic tree implementation with no payload.
      • schrodinger.application.desmond.antlr3.tree.CommonTree: @brief A tree node that is wrapper for a Token object.
        • schrodinger.application.desmond.antlr3.tree.CommonErrorNode: A node representing erroneous token range in token stream
        • schrodinger.application.desmond.antlr3.treewizard.TreePattern: When using %label:TOKENNAME in a tree for parse(), we must track the label.
          • schrodinger.application.desmond.antlr3.treewizard.WildcardTreePattern
  • schrodinger.application.desmond.antlr3.tree.TreeAdaptor: @brief Abstract baseclass for tree adaptors.
    • schrodinger.application.desmond.antlr3.tree.BaseTreeAdaptor: @brief A TreeAdaptor that works with any Tree implementation.
      • schrodinger.application.desmond.antlr3.tree.CommonTreeAdaptor: @brief A TreeAdaptor that works with any Tree implementation.
        • schrodinger.application.desmond.antlr3.treewizard.TreePatternTreeAdaptor: This adaptor creates TreePattern objects for use during scan()
    • schrodinger.application.desmond.antlr3.debug.DebugTreeAdaptor: A TreeAdaptor proxy that fires debugging events to a DebugEventListener delegate and uses the TreeAdaptor delegate to do the actual work.
  • xml.etree.ElementTree.TreeBuilder
    • schrodinger.application.jaguar.keywordDB.DTDTreeBuilder: We create this subclass and redefine doctype() to avoid: "DeprecationWarning: This method of XMLParser is deprecated.
  • schrodinger.application.desmond.antlr3.treewizard.TreePatternLexer
  • schrodinger.application.desmond.antlr3.treewizard.TreePatternParser
  • schrodinger.application.desmond.antlr3.tree.TreeVisitor: Do a depth first walk of a tree, applying pre() and post() actions we go.
  • schrodinger.application.desmond.antlr3.treewizard.TreeWizard: Build and navigate trees with this object.
  • schrodinger.application.matsci.nano.xtal.CrystalSystems.Triclinic: Manage the triclinic system.
  • schrodinger.application.matsci.nano.xtal.CrystalSystems.Trigonal: Manage the trigonal system.
  • schrodinger.application.desmond.systype.TyperBase
    • schrodinger.application.desmond.systype.DesmondTyper
    • schrodinger.application.desmond.systype.McproTyper
    • schrodinger.application.desmond.systype.WatermapTyper
  • schrodinger.application.desmond.starter.ui.fep_plus.UI
  • schrodinger.application.desmond.starter.ui.multisim.UI
  • schrodinger.application.matsci.espresso.utils.UPFParser: Class that handles UPF parsing.
  • schrodinger.application.msv.gui.color_editor_ui.Ui_ColorEditor
  • schrodinger.ui.picking_dir.pick_lig_no_maestro_dialog_ui.Ui_Dialog
  • schrodinger.application.desmond.desmond_advanced_tab_ui.Ui_Dialog
  • schrodinger.application.combiglide.combenumdock_dir.cg_interactive_enum_dock_constraints_ui.Ui_Dialog
  • schrodinger.ui.ligfilter_definition_dialog_ui.Ui_Dialog
  • schrodinger.application.combiglide.combenumdock_dir.cg_interactive_enum_dock_collection_viewer_ui.Ui_Dialog
  • schrodinger.ui.picking_dir.pick_res_no_maestro_dialog_ui.Ui_Dialog
  • schrodinger.application.pldb.packages.pldb_gui_shell_dir.ui.credentials_dialog_ui.Ui_Dialog
  • schrodinger.ui.picking_dir.pick_constraint_res_no_maestro_dialog_ui.Ui_Dialog
  • schrodinger.application.msv.gui.rename_tab_dialog_ui.Ui_Dialog
  • schrodinger.application.jaguar.gui.ui.coordinate_dialog_ui.Ui_Dialog
  • schrodinger.infra.exception_handler_dir.exception_dialog_ui.Ui_Dialog
  • schrodinger.application.jaguar.gui.ui.scf_tab_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.molecule_pka_bottom_ui.Ui_Form
  • schrodinger.application.msv.gui.msv_main_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.scan_tab_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.properties_tab_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.reaction_properties_tab_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.irc_bottom_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.input_sub_tabs.basis_set_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.reaction_tab_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.input_std_bottom_ui.Ui_Form
  • schrodinger.application.desmond.rest_tab_ui.Ui_Form
  • schrodinger.application.bioluminate.propfilter_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.transition_state_bottom_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.input_pka_bottom_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.scan_tab_nextgeom_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.input_hb_bottom_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.molecule_top_ui.Ui_Form
  • schrodinger.application.prime.gui.ui.analyze_energy_ui.Ui_Form
  • schrodinger.application.desmond.input_group_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.irc_top_ui.Ui_Form
  • schrodinger.application.bioluminate.protein_structure_quality_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.optimization_tab_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.output_tab_ui.Ui_Form
  • schrodinger.ui.ligfilter_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.multi_structures_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.solvation_gas_phase_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.transition_state_top_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.molecule_std_bottom_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.solvation_solvent_model_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.input_top_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.input_sub_tabs.charge_constraints_ui.Ui_Form
  • schrodinger.application.prime.gui.ui.environment_options_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.theory_tab_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.reaction_molecules_tab_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.solvent_tab_ui.Ui_Form
  • schrodinger.application.jaguar.gui.ui.solvation_pka_ui.Ui_Form
  • schrodinger.application.msv.gui.get_sequences_dialog_ui.Ui_GetSequencesDialog
  • schrodinger.application.msv.gui.msv_main_window_ui.Ui_MainWindow
  • schrodinger.application.jaguar.gui.ui.edit_dialog_ui.Ui_MainWindow
  • schrodinger.application.combiglide.combenumdock_dir.cg_interactive_enum_dock_ui.Ui_Widget
  • schrodinger.application.jaguar.gui.ui.spin_treatment_widget_ui.Ui_Widget
  • schrodinger.application.combiglide.combenumdock_dir.cg_interactive_enum_dock_cfc_ui.Ui_Widget
  • schrodinger.application.jaguar.gui.ui.excited_state_widget_ui.Ui_Widget
  • schrodinger.application.jaguar.gui.base_panel.UseConsistentOrbitalsMixin: A mixin for panels where the SCF tab contains a "Use consistent orbitals" checkbox.
  • schrodinger.ui.qt.appframework2.validation.ValidationMixin: This mix-in provides validation functionality to other classes, including the ability to designate methods as validation methods, which will be called when the validate method is invoked.
    • schrodinger.tasks.tasks.AbstractTask: WARNING: as descriptors, instances of this class will not behave normally if used as class variables.
      • schrodinger.tasks.jobtasks.AbstractJobTask
        • schrodinger.tasks.jobtasks.CmdJobTask
      • schrodinger.tasks.tasks.BaseFunctionTask
        • schrodinger.tasks.tasks.BlockingFunctionTask
        • schrodinger.tasks.tasks.ThreadFunctionTask
    • schrodinger.ui.qt.appframework2.baseapp.ValidatedPanel
      • schrodinger.ui.qt.appframework2.af2.App
        • schrodinger.utils.welcome_dialog_dir.base_welcome.BaseWelcome
          • schrodinger.utils.welcome_dialog.WelcomeDialog
        • schrodinger.ui.qt.appframework2.af2.JobApp
          • schrodinger.application.jaguar.gui.base_panel.BaseJaguarPanel: A base class for all Jaguar GUIs.
            • schrodinger.application.jaguar.gui.base_panel.StandardPanel: A convenience class for standard Jaguar panels that:
            • schrodinger.application.jaguar.gui.base_panel.StandardPanelNoInputTab: A convenience class for standard Jaguar panels that use a "Molecule" tab (with a basis selector) in place of an "Input" tab.
              • schrodinger.application.jaguar.gui.base_panel.MultiStructurePanel: A convenience class for standard Jaguar panels that use a MultiStructureTab.
          • schrodinger.application.desmond.gui.GuiApp: Base class of several Desmond panel GUI's (see its subclasses below).
          • schrodinger.application.matsci.guibase.MultiJobApp: Subclass of AF2 JobApp that allows launching multiple simultanious jobs.
            • schrodinger.application.matsci.guibase.MultiDesmondJobApp: Class with functionality for setting up, validating and running multiple Desmond jobs.
          • schrodinger.application.matsci.reordergui.ReorderAtomPanel: A simple panel that takes two selected entries and allows one of them to be reordered - this is mainly for testing and example purposes.
        • schrodinger.application.msv.gui.msv_gui.MSVPanel
      • schrodinger.ui.qt.appframework2.settings.BaseOptionsPanel: A base class for options dialogs that report all settings via a dictionary.
        • schrodinger.application.prime.gui.analyze_energy.AnalyzeEnergyOptions
  • schrodinger.application.desmond.cms.Vdw: A class for handling VDW parameters.
  • schrodinger.trajectory.prody.mode.VectorBase: A base class for :class:`Mode` and :class:`Vector`.
    • schrodinger.trajectory.prody.mode.Mode: A class to provide access to and operations on mode data.
    • schrodinger.trajectory.prody.mode.Vector: A class to provide operations on a modified mode array.
  • schrodinger.application.matsci.shapes.Vertex: Class to manage vertices.
  • schrodinger.utils.pymol.VisRecord: Represents a surface entry in a "vis_list" file
    • schrodinger.utils.pymol.VisRecordVol: Represents a volume entry in a "vis_list" file
  • schrodinger.analysis.visanalysis.volumedata.VolumeData: The VolumeData class is responsible for handling the underlying storage as well as marrying together the concepts of array-coordinates and world-coordinates.
  • schrodinger.infra.fast3d.Volumizer
    • schrodinger.infra.fast3d.LigPrep3Volumizer
  • schrodinger.protein.getpdb_utility.WholePDB: Class to take care of the file work for entire PDB files.
  • schrodinger.application.msv.gui.msv_widget.WidgetOptions: A collection of values indicating the current state of the widget.
  • schrodinger.application.matsci.jaguarworkflows.WorkFlow: A class to hold the data for and shepherd a single structure through all the jobs required to gather its data.
  • schrodinger.application.desmond.maestro.Workspace: A class for representing the Workspace.
  • schrodinger.utils.pymol.WorkspaceIdMapper: Maps workspace atom indices to (row.index, ID)
  • schrodinger.application.bioluminate.workspacelabeler.WorkspaceLabeler: Class with methods for manipulating workspace atom labels.
  • schrodinger.application.desmond.packages.msys.wrap.Wrapper
  • schrodinger.application.matsci.zmutils.ZAtom: A single atom in a Z-matrix
  • schrodinger.application.matsci.zmutils.ZMatrix: Contains the z-matrix for a structure
  • argparse._ActionsContainer
    • argparse.ArgumentParser: Object for parsing command line strings into Python objects.
      • schrodinger.application.desmond.packages.cui.CommandLine: Use this class to define common command line arguments such input cms file, input trajectory, output file base name, trajectory slicing option, and so on.
      • schrodinger.test.stu.base_executable.TestRunnerParser: Subclass that allows easy adding of options.
  • schrodinger.structure._AtomBondContainer: The class to provide access to _StructureBond instances for each bond of an atom.
  • schrodinger.structure._AtomCollection: A set of atoms, usually comprising a subset of the total atoms in a Structure.
    • schrodinger.protein.sequence.Sequence: Class representing a sequence of protein residues.
    • schrodinger.structure._Chain: A class used to return chain information when iterating over chains in a Structure object.
    • schrodinger.structure._Molecule: A class used to return molecule information when iterating over molecules in a Structure object.
    • schrodinger.structure._Residue: A class which is returned by the ResidueIterator and contains information about the residue including the atoms which make it up.
    • schrodinger.structure._Ring: Class representing a ring.
  • schrodinger.application.desmond.gui._AtomGroup: Represents the data of the atom group table? Of the Misc tab of the Advanced Options dialog
  • schrodinger.structure._AtomIterator: Iterates over each _StructureAtom in a _Molecule, _Chain, _Residue or _Ring.
  • schrodinger.trajectory.atomselection._AtomSelection: A general class for ASL expression support.
  • schrodinger.application.jaguar.results._Attribute: A small utility class to automate and regularize handling of attributes.
  • argparse._AttributeHolder: Abstract base class that provides __repr__.
    • argparse.Action: Information about how to convert command line strings to Python objects.
      • schrodinger.application.glide.packages.utils.DictAction: Argparse action class that uses values of the form key=val (see parseKeyval for more details) to fill a dictionary.
      • schrodinger.application.glide.packages.startup.EnvAction: Arparse action class that, in addition to "store_true", sets SCHRODINGER_GLIDE_<dest>=1 in the environment.
      • schrodinger.application.mopac.mopac_parser.MethodOptionAction: Modified argparse Action object that allows for upper or lower-case specification of string options, including synonyms
      • schrodinger.application.glide.packages.startup.PrintKeywordsAction: Arparse action class that prints the Glide keyword list and exits as soon as the command-line option is processed.
      • schrodinger.test.stu.base_executable.store_server: Argparse action to monkeypatch the server address.
    • argparse.ArgumentParser: Object for parsing command line strings into Python objects.
      • schrodinger.application.desmond.packages.cui.CommandLine: Use this class to define common command line arguments such input cms file, input trajectory, output file base name, trajectory slicing option, and so on.
      • schrodinger.test.stu.base_executable.TestRunnerParser: Subclass that allows easy adding of options.
  • schrodinger.job.jobcontrol._Backend: An interface to mmjobbe.
    • schrodinger.application.desmond.meta._Backend
  • schrodinger.application.desmond.gui._BaseAdvancedDialog: Subclass shared by MinAdvancedDialog and MdcAdvancedDialog.
    • schrodinger.application.desmond.gui.MdcAdvancedDialog: Advanced Options dialog for Mdc Desmond panels
    • schrodinger.application.desmond.gui.MinAdvancedDialog: Advanced Minimization options dialog for Desmond panels
  • schrodinger.application.desmond.gui._BaseAslRow: Base class for PosResRow and AtomGroupRow.
    • schrodinger.application.desmond.gui.AtomGroupRow
    • schrodinger.application.desmond.gui.PosResRow
  • schrodinger.test.stu.client._BaseClient: Base client class for submitting requests to a server.
    • schrodinger.test.stu.client.TestClient: Interact with the Test server.
  • schrodinger.application.desmond.gui._BaseGroup: Inherited by MdGroup and MinimizeGroup, so therefore by all Simulation frames
    • schrodinger.application.desmond.gui.MdGroup: Molecular Dynamics group
  • schrodinger.maestro.markers._BaseMarker: Base class for the marker classes.
  • schrodinger.analysis.enrichment._BasePlotter: Class on which Plotter and PercentScreenPlotter are based.
    • schrodinger.analysis.enrichment.PercentScreenPlotter: A class to plot multiple series of Calculator data as %Actives Found vs %Screen.
    • schrodinger.analysis.enrichment.Plotter: A class to plot multiple series of Calculator data.
  • schrodinger.application.desmond.mdkey._Bool
  • unreachable._CData: XXX to be provided
    • _ctypes.Structure: Structure base class
      • schrodinger.test.darwinconsole.Utmpx: This struct utmpx definition is only correct on Darwin.
  • schrodinger._DummyMaestroModule: Used to replace schrodinger.maestro.maestro when running outside of Maestro.
  • schrodinger.application.desmond.ffiostructure._Element
    • schrodinger.application.desmond.ffiostructure._FEPIOElement: hash(x)
    • schrodinger.application.desmond.ffiostructure._FFIOElement: hash(x)
  • schrodinger.job.host_check._ErrorLevel: An ErrorLevel is an ordered type that represents the severity of a host-check error.
  • schrodinger.application.licensing.licerror._ErrorLevel: An _ErrorLevel is an ordered type that represents the severity of a license error.
  • schrodinger.utils.sea._Evalor: This is the evaluator class for checking validity of parameters.
  • schrodinger.application.desmond.mdkey._Evalor
  • schrodinger.application.desmond.ffiostructure._FEPIO: A class to make access of fepio block pythonic.
  • schrodinger.application.desmond.ffiostructure._FEPIOSubBlock: A class to make access of fepio sub-block properties more pythonic.
    • schrodinger.application.desmond.ffiostructure._FEPIOAngleMap: hash(x)
    • schrodinger.application.desmond.ffiostructure._FEPIOAtomMap: hash(x)
    • schrodinger.application.desmond.ffiostructure._FEPIOBondMap: hash(x)
    • schrodinger.application.desmond.ffiostructure._FEPIODihedMap: hash(x)
    • schrodinger.application.desmond.ffiostructure._FEPIOExclMap: hash(x)
    • schrodinger.application.desmond.ffiostructure._FEPIOPairMap: hash(x)
  • schrodinger.application.desmond.ffiostructure._FEPIOSubBlockContainer
    • schrodinger.application.desmond.ffiostructure._FEPIOAngleMapContainer
    • schrodinger.application.desmond.ffiostructure._FEPIOAtomMapContainer
    • schrodinger.application.desmond.ffiostructure._FEPIOBondMapContainer
    • schrodinger.application.desmond.ffiostructure._FEPIODihedMapContainer
    • schrodinger.application.desmond.ffiostructure._FEPIOExclMapContainer
    • schrodinger.application.desmond.ffiostructure._FEPIOPairMapContainer
  • schrodinger.trajectory.ffstructure._FFAngle: A class to hold force field parameters for an angle.
  • schrodinger.trajectory.ffstructure._FFBond: A class to hold force field parameters for a bond.
  • schrodinger.trajectory.ffstructure._FFConstraint: A class to hold force field parameters for a constraint.
  • schrodinger.trajectory.ffstructure._FFDihedral: A class to hold force field parameters for a dihedral.
  • schrodinger.trajectory.ffstructure._FFExclusion: A class to hold force field parameters for an exclusion pair.
  • schrodinger.application.desmond.ffiostructure._FFIO: A class to make access of ffio block pythonic.
  • schrodinger.application.desmond.ffiostructure._FFIOSubBlock: A class to make access of ffio sub-block properties more pythonic.
    • schrodinger.application.desmond.ffiostructure._FFIOAngle: A class to make access of mmffio angle properties more pythonic.
    • schrodinger.application.desmond.ffiostructure._FFIOAngleFBHW: A class to make access of mmffio angle flat bottom properties more pythonic.
    • schrodinger.application.desmond.ffiostructure._FFIOBond: A class to make access of mmffio bond properties more pythonic.
    • schrodinger.application.desmond.ffiostructure._FFIOConstraint: A class to make access of mmffio constraint properties more pythonic.
    • schrodinger.application.desmond.ffiostructure._FFIODihedral: A class to make access of mmffio dihedral properties more pythonic.
    • schrodinger.application.desmond.ffiostructure._FFIOExclusion: A class to make access of mmffio exclusion properties more pythonic.
    • schrodinger.application.desmond.ffiostructure._FFIOImproperFBHW: A class to make access of mmffio improper flat bottom properties more pythonic.
    • schrodinger.application.desmond.ffiostructure._FFIOPair: A class to make access of mmffio pair properties more pythonic.
    • schrodinger.application.desmond.ffiostructure._FFIOPosFBHW: A class to make access of mmffio position flat bottom properties more pythonic.
    • schrodinger.application.desmond.ffiostructure._FFIOPseudo: A class to make access of mmffio pseudo properties more pythonic.
    • schrodinger.application.desmond.ffiostructure._FFIORestraint: A class to make access of mmffio restraint properties more pythonic.
    • schrodinger.application.desmond.ffiostructure._FFIOSite: A class to make access of mmffio site properties more pythonic.
    • schrodinger.application.desmond.ffiostructure._FFIOStretchFBHW: A class to make access of mmffio stretch flat bottom properties more pythonic.
    • schrodinger.application.desmond.ffiostructure._FFIOVdwtype: A class to make access of mmffio vdwtype properties more pythonic.
    • schrodinger.application.desmond.ffiostructure._FFIOVdwtypescombined: A class to make access of mmffio vdwtype properties more pythonic.
    • schrodinger.application.desmond.ffiostructure._FFIOVirtual: A class to make access of mmffio virtual properties more pythonic.
  • schrodinger.application.desmond.ffiostructure._FFIOSubBlockContainer
    • schrodinger.application.desmond.ffiostructure._FFIOAngleContainer
    • schrodinger.application.desmond.ffiostructure._FFIOAngleFBHWContainer
    • schrodinger.application.desmond.ffiostructure._FFIOBondContainer
    • schrodinger.application.desmond.ffiostructure._FFIOConstraintContainer
    • schrodinger.application.desmond.ffiostructure._FFIODihedralContainer
    • schrodinger.application.desmond.ffiostructure._FFIOExclusionContainer
    • schrodinger.application.desmond.ffiostructure._FFIOImproperFBHWContainer
    • schrodinger.application.desmond.ffiostructure._FFIOPairContainer
    • schrodinger.application.desmond.ffiostructure._FFIOPosFBHWContainer
    • schrodinger.application.desmond.ffiostructure._FFIOPseudoContainer
    • schrodinger.application.desmond.ffiostructure._FFIORestraintContainer
    • schrodinger.application.desmond.ffiostructure._FFIOSiteContainer
    • schrodinger.application.desmond.ffiostructure._FFIOStretchFBHWContainer
    • schrodinger.application.desmond.ffiostructure._FFIOVdwtypeContainer
    • schrodinger.application.desmond.ffiostructure._FFIOVdwtypescombinedContainer
    • schrodinger.application.desmond.ffiostructure._FFIOVirtualContainer
  • schrodinger.trajectory.ffstructure._FFPair: A class to hold force field parameters for a pair.
  • schrodinger.trajectory.ffstructure._FFPseudo: A class to hold force field parameters for a pseudo atom.
  • schrodinger.trajectory.ffstructure._FFRestraint: A class to hold force field parameters for a restraint.
  • schrodinger.trajectory.ffstructure._FFSite: A class to hold force field parameters for a site.
  • schrodinger.trajectory.ffstructure._FFVdwtype: A class to hold force field parameters for a Van der Waals type.
  • schrodinger.trajectory.ffstructure._FFVirtual: A class to hold force field parameters for a virtual site.
  • schrodinger.test.stu.sysinfo._FakeLocal: Lazily evaluated local host.
  • schrodinger.test.stu.sysinfo._FakeRemote: Lazily evaluated remote host.
  • schrodinger.application.desmond.config._FepSchedule
  • schrodinger.application.desmond.icon._Global: A class to hold global objects so the use of module-level objects can be avoided.
  • schrodinger.job.jobcontrol._JobManager
  • schrodinger.job.jobcontrol._JobResourceHolder: A helper class to deal with mmlib resource de-allocation.
  • schrodinger.test.stu.outcomes.job_status._LicenseInfo: Extract an in-memory representation of the license checkouts from a named license checkout file.
  • schrodinger.analysis.visanalysis.volumedataio._MMVol: The _MMVol class acts as a wrapper around low-level MMVol objects.
  • schrodinger.job.launchparams._MaestroParameters
  • schrodinger.application.desmond.antlr3.main._Main
  • schrodinger.application.desmond.gui._MdcBase: The Advanced options dialogs and their tab widgets subclass this class.
    • schrodinger.application.desmond.gui.EnsembleTab: Frame for the Ensemble tab of the Advanced Options dialog.
    • schrodinger.application.desmond.gui.IntegrationTab: Frame for the Integration tab of the Mdc Advanced Options dialogs
    • schrodinger.application.desmond.gui.InteractionTab: Frame for the Interaction frame of the Advanced Options dialog.
    • schrodinger.application.desmond.gui.MdcMiscTab: Frame for the Misc tab of Mdc Advanced Options dialogs.
      • schrodinger.application.desmond.gui.MinMiscTab: Frame for the Misc Tab of Advanced Options dialog of Minimization GUI.
    • schrodinger.application.desmond.gui.MinOutputFrame: Group box "Output" of the "Minimization" tab of Advanced Options dialog.
    • schrodinger.application.desmond.gui.MinimizationTab: Frame for the Minimization tab of the Advanced Options dialog.
    • schrodinger.application.desmond.gui.MinimizerFrame: Group box "Minimizer" of the "Minimization" tab of Advanced Options dialog.
    • schrodinger.application.desmond.gui.OutputTab: Frame for the Output tab of the Advanced Options dialog
    • schrodinger.application.desmond.gui.RandVelFrame: Frame for the "Randomize velocities" group of the Misc tab of Advanced dialog.
    • schrodinger.application.desmond.gui.RestraintsTab: Frame for the Restraints tab of the Advanced Options dialog
  • schrodinger.job.queue._MultiJobFinalizer: A class to allow specification of a function to be invoked when the final job of a group completes successfully.
  • schrodinger.structure._NotSortable: Mix-in for classes that shouldn't be sortable or orderable.
    • schrodinger.structure._StructureAtom: Access of mmct atoms properties pythonically.
    • schrodinger.structure._StructureBond: A class for pythonic access to bond properties.
  • schrodinger.structutils.createfragments._Options: A class to hold a list of options.
  • schrodinger.application.desmond.ffiostructure._OtherBlock
    • schrodinger.application.desmond.ffiostructure._FEPIOOtherBlock: hash(x)
    • schrodinger.application.desmond.ffiostructure._FFIOOtherBlock: hash(x)
  • schrodinger.application.desmond.ffiostructure._OtherBlockContainer: The class to provide access to other block instances.
    • schrodinger.application.desmond.ffiostructure._FEPIOOtherBlockContainer
    • schrodinger.application.desmond.ffiostructure._FFIOOtherBlockContainer
  • schrodinger.ui.picking._PickToggle: Base class for picking toggles.
    • schrodinger.ui.picking.Pick3DObjectToggle: Class meant to replicate a Maestro pick toggle.
    • schrodinger.ui.picking.PickAtomToggle: Class meant to replicate Maestro atom pick toggles.
    • schrodinger.ui.picking.PickBondToggle: Class meant to replicate Maestro bond pick toggles.
    • schrodinger.ui.picking.PickMixedToggle: Class allowing to pick atom or bond depending on internal state.
    • schrodinger.ui.picking.PickTorsionToggle: Class for creating a picker that allows the user to define a torsion by sequentually picking 4 atoms.
  • schrodinger.trajectory.analysis._RamachandranCallback: This class implements a callback to print information about selected Ramachandran plot points.
  • schrodinger.structure._ReaderWriterContextManager: A mixin to enable context manager usage in reader and writer classes.
    • schrodinger.structure.FormatReader: This is a base class for all file format readers.
      • schrodinger.structure.InfraReader: Reader which use c++ reader implementation.
      • schrodinger.structure.MaestroReader: A class for reading structures from a Maestro (M2io) format file.
        • schrodinger.structure.MaestroReaderWithPositions: A class for rapid random access to the structures in a Maestro file.
      • schrodinger.structure.Mol2Reader: A class for reading structures from a mol2 format file.
      • schrodinger.structure.PDBReader: A class for reading structures from a PDB format file.
      • schrodinger.structure.SDReader: A class for reading structures from a SD format file.
    • schrodinger.structure.MaestroTextReader: A class for reading structures from a Maestro format file.
    • schrodinger.structure.MultiFileStructureReader: Provides a single iterator that reads structure from multiple files.
    • schrodinger.structure.MultiFileStructureWriter: Similar to StructureWriter, except that it writes to multiple files, while keeping the number of structures per file under sts_per_file.
      • schrodinger.structutils.io.MultiFileWriter
    • schrodinger.structure.PDBWriter: A class for writing PDB-formatted files.
    • schrodinger.structure.SmilesCsvReader: A class for reading structures from a SMILES CSV formatted file.
    • schrodinger.structure.SmilesReader: A class for reading structures from a SMILES formatted file.
    • schrodinger.structure.StructureReader: Read structures from files of various types.
      • schrodinger.application.jaguar.autots_bonding.ReactiqStructureReader: Local version of StructureReader which redefines bonding when reading
    • schrodinger.structure.StructureWriter: A class for efficient writing of multiple structures to a single structure file.
    • schrodinger.structure._BaseWriter: This class provides a common implementation for structure writers.
      • schrodinger.structure.MaestroWriter: A class for more efficient appending of a large number of structures to a single maestro structure file.
      • schrodinger.structure.Mol2Writer: Mol2 support for the StructureWriter class.
      • schrodinger.structure.SDWriter: A class for more efficient appending of a large number of structures to a single SD structure file.
      • schrodinger.structure.SmilesCsvWriter: More efficient writing of a large number of structures to a single SMILES CSV file.
      • schrodinger.structure.SmilesWriter: More efficient writing of a large number of structures to a single SMILES file.
  • schrodinger.application.msv.domain.alignment._Region: Utility class to store information about locked or unlocked regions of an alignment
  • schrodinger.structure._ResidueIterator: Residue iterator.
  • schrodinger.structure._RingEdgeIterator: Iterates over edges(bonds) of a _Ring.
  • schrodinger.protein.rotamers._Rotamer: A single instance of a rotamer - represents a set of CHI angle values
  • schrodinger.protein.rotamers._RotamerIterator: Container for the rotamers which are associated with a particular residue type
  • schrodinger.job.launchapi._RuntimeParameters: A class to hold job-specific input and output filenames.
  • schrodinger.job.launchapi._RuntimeParametersBuilder
  • schrodinger.application.ska._SkaData: Data structure for named backend return values...
  • schrodinger.structure._StructureAtomContainer: The class to provide access to _StructureAtom instances.
  • schrodinger.structure._StructureBondContainer: The class to provide access to _StructureBond instances for each bond in the structure.
  • schrodinger.structure._StructureChainIterator: Class for iterating over chains in a Structure.
  • schrodinger.structutils.createfragments._StructureFragmenter: Class to create fragments from a given set of _Options and a given schrodinger.structure.Structure.
  • schrodinger.structure._StructureMoleculeIterator: Iterates over _Molecule in a Structure.
  • schrodinger.structure._StructureRingIterator: Container for all rings in the Structure.
  • schrodinger.test.stu.sysinfo._SysInfo: Determines and saves the system information.
  • schrodinger.analysis.visanalysis.vdaxis._VDAxis: The _VDAxis class represents a single coordinate-axis.
  • schrodinger.analysis.visanalysis.vdcoordinateframe._VDCoordinateFrame: The _VDCoordinateFrame class is primarily a utility class.
  • threading._Verbose
    • threading.Thread: A class that represents a thread of control.
      • schrodinger.trajectory.rmsd2d.FrameLoader: A multi-threading class to load trajectory frame.
      • schrodinger.trajectory.rmsd2d.RMSDThreading
  • schrodinger.ui.qt.pop_up_widgets._WidgetWithPopUpMixin: Container for methods shared between ComboBoxWithPopUp and LineEditWithPopUp classes.
    • schrodinger.ui.qt.pop_up_widgets.ComboBoxWithPopUp: A combo box with a pop up that appears whenever the menu is pressed.
      • schrodinger.ui.residueselector.MutationSelectorComboBox: This combo box will show a residue type selection pop-up box when clicked.
    • schrodinger.ui.qt.pop_up_widgets.LineEditWithPopUp: A line edit with a pop up that appears whenever the line edit has focus.
      • schrodinger.application.jaguar.gui.basis_selector.BasisSelectorLineEdit: A line edit that can be used to select a basis set.
      • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.charge_selector.ChargeSelectorLineEdit: A line edit that can be used to select constraint's charge and individual atom weights.
      • schrodinger.ui.residueselector.MutationSelectorLineEdit: This line edit will show a residue type selection pop-up box when clicked.
    • schrodinger.ui.qt.pop_up_widgets._AbstractButtonWithPopUp: A mixin to allow for checkable buttons with a pop up that appears whenever the button is pressed.
      • schrodinger.ui.qt.pop_up_widgets.ToolButtonWithPopUp: A checkable tool button with a pop up that appears whenever the button is pressed.
        • schrodinger.application.msv.gui.popup_dialogs.ColorButtonWithPopUp: A checkable button with text "Color" that has a pop up
        • schrodinger.application.msv.gui.popup_dialogs.QuickAnnotateButtonWithPopUp: A checkable button with text "Quick Annotate" that has a pop up
        • schrodinger.application.msv.gui.popup_dialogs.ViewButtonWithPopUp: A checkable button with text "View" that has a pop up
  • schrodinger.application.desmond.cmj._create_param_when_needed
  • schrodinger.application.desmond.envir._create_when_needed
  • schrodinger.application.desmond.config._create_when_needed
  • schrodinger.application.desmond.cmj._get_jc_backend_when_needed
  • basestring: Type basestring cannot be instantiated; it is the base for str and unicode.
    • str: str(object='') -> string
      • schrodinger.application.jaguar.jaguar_diff.CaseInsensitiveString: A class that behaves like a regular string except that comparisons are done on a case insensitive basis.
      • schrodinger.utils.sea.Key: An instance of this class will be used as the key of the Map class (see below).
      • schrodinger.surface.StrEnum: An enum class where all values are strings.
        • schrodinger.surface.ColorBy: Values for surface color schemes.
      • schrodinger.application.glide.xpdes.TermKeywords: XP-descriptor term keywords.
    • unicode: unicode(object='') -> unicode object unicode(string[, encoding[, errors]]) -> unicode object
      • schrodinger.utils.fileutils.tempfilename
        • schrodinger.utils.fileutils.TempStructureFile
  • schrodinger.application.desmond.enhsamp.binding
  • schrodinger.infra.util.cached_property: Decorator that converts a method with a single self argument into a property cached on the instance.
  • schrodinger.utils.fileutils.chdir: A context manager that carries out commands inside of the specified directory and restores the current directory when done.
  • dict: dict() -> new empty dictionary dict(mapping) -> new dictionary initialized from a mapping object's (key, value) pairs dict(iterable) -> new dictionary initialized as if via: d = {} for k, v in iterable: d[k] = v dict(**kwargs) -> new dictionary initialized with the name=value pairs in the keyword argument list.
    • schrodinger.application.desmond.fepdiff.FEPIOProperty
    • schrodinger.application.desmond.fepdiff.FFIOProperty
    • schrodinger.application.msv.utils.IdentityMapping: An identity mapping is a dictionary for mutable objects that uses the id for the object as the key.
    • schrodinger.application.desmond.fepdiff.IndexDict
      • schrodinger.application.desmond.fepdiff.TupleDict: A dictionary class that has a tuple as its key.
        • schrodinger.application.desmond.fepdiff.BiDirDualTupleDict: A dictionary class that uses tuple of tuple as its key which treats the inner tuple and its reversed counterpart the same.
        • schrodinger.application.desmond.fepdiff.BiDirTupleDict: A dictionary class that uses tuple as its key which treats the tuple and its reversed counterpart the same.
        • schrodinger.application.desmond.fepdiff.ConstraintTupleDict: A dictionary class that uses tuple as its key.
        • schrodinger.application.desmond.fepdiff.ImproperDualTupleDict: ImproperDualTupleDict use two element tuple of tuple as it key.
        • schrodinger.application.desmond.fepdiff.ImproperTupleDict: A dictionary class that uses tuple as its key.
        • schrodinger.application.desmond.fepdiff.LooseOrderTupleDict: A dictionary class that uses tuple as its key which does not care about the actual order of individual element of the tuple.
    • collections.OrderedDict: Dictionary that remembers insertion order
      • schrodinger.application.matsci.espresso.qeoutput.OrderedDefaultDict: This class implements ordered default dict functionality.
      • schrodinger.application.bioluminate.protein.OrderedResidueDict: Creates an ordered dictionary for residues in a structure
      • schrodinger.application.desmond.packages.analysis._CustomCalc: An instance of this class will store custom calculation requests (keys) and results (values).
    • schrodinger.project.PropertyDictionary: A dictionary of properties which can be indexed by dataname or column name (the name visible in the project).
    • schrodinger.application.bioluminate.patch_utils.patch_finder.ResidueDictionary: A dictionary that stores data about residues in a single structure.
    • configobj.Section: A dictionary-like object that represents a section in a config file.
      • configobj.ConfigObj: An object to read, create, and write config files.
        • schrodinger.application.inputconfig.InputConfig: Parse keyword-value input files and make the settings available in a dictionary-like fashion.
          • schrodinger.application.glide.glide.GlideJob: Class for writing Glide input files - either Gridgen or Docking.
            • schrodinger.application.glide.glide.Dock: Class for generating Glide docking input files.
            • schrodinger.application.glide.glide.Gridgen: Class for writing Glide Grid Generation input files.
          • schrodinger.application.phase.input.PhaseHypothesisInputConfig: Settings/Validation InputConfig class for the Phase Hypothesis Driver.
          • schrodinger.application.prime.input.Prime: Class for reading and writing simplified Prime input files.
            • schrodinger.application.bioluminate.protein.PrimeConfig: Class containing the methods to write Prime input files.
          • schrodinger.application.macromodel.input._MacroModel: Class for reading and writing simplified MacroModel input files.
            • schrodinger.application.macromodel.input.ConfSearch: A special class for dealing with Conformation Search jobs.
            • schrodinger.application.macromodel.input.EmbraceConfSearch: A special class for dealing with Embrace Conformation Search jobs.
            • schrodinger.application.macromodel.input.EmbraceMinimization: A special class for dealing with Enbrace Minimization jobs.
            • schrodinger.application.macromodel.input.EnergyListing: A special class for dealing with Energy Listing jobs.
            • schrodinger.application.macromodel.input.Minimization: A special class for dealing with Minimization jobs.
            • schrodinger.application.macromodel.input.Minta: A special class for dealing with Minta jobs.
            • schrodinger.application.macromodel.input.RCE: A special class for dealing with RCE jobs.
    • schrodinger.test.stu.outcomes.compareDesmondSystems'.System: A very basic class to hold cms data.
    • schrodinger.application.jaguar.results.ZVariables: A class to store Z-variables and their values, generated in scan jobs.
    • collections.defaultdict: defaultdict(default_factory[, ...]) --> dict with default factory
      • schrodinger.application.matsci.espresso.qeoutput.OrderedDefaultDict: This class implements ordered default dict functionality.
  • float: float(x) -> floating point number
  • schrodinger.application.combiglide.combenumdock.glidePrecisionDialog
  • unreachable.instance
    • schrodinger.application.desmond.packages.msys._msys.AnnotatedSystem
    • schrodinger.application.desmond.packages.msys._cealign.CEAlign
    • schrodinger.application.desmond.packages.msys.molfile._molfile.DtrReader
    • schrodinger.application.desmond.packages.msys.molfile._molfile.DtrWriter
    • schrodinger.application.desmond.packages.msys.molfile._molfile.Frame
    • schrodinger.application.desmond.packages.msys._msys.GraphPtr
    • schrodinger.application.desmond.packages.msys._msys.HydrogenBond
    • schrodinger.application.desmond.packages.msys._msys.IndexedFileLoader
    • schrodinger.application.desmond.packages.msys._msys.LoadIterator
    • rdkit.Chem.rdchem.Mol: The Molecule class.
    • schrodinger.application.desmond.packages.msys._msys.NonbondedInfo
    • schrodinger.application.desmond.packages.msys._msys.OverrideTablePtr
    • schrodinger.application.desmond.packages.msys._msys.ParamTablePtr
    • schrodinger.application.desmond.packages.msys.molfile._molfile.Plugin: Interface to readers and writers
    • schrodinger.application.desmond.packages.msys._msys.Provenance
    • schrodinger.application.desmond.packages.msys.molfile._molfile.Reader: Structure or trajectory open for reading
    • schrodinger.application.desmond.packages.msys._msys.SmartsPattern
    • schrodinger.application.desmond.packages.msys._msys.SpatialHash
    • schrodinger.application.desmond.packages.msys._msys.SystemPtr
    • schrodinger.application.desmond.packages.msys._msys.TermTablePtr
    • schrodinger.application.desmond.packages.msys.molfile._molfile.Timekeys
    • schrodinger.application.desmond.packages.msys._msys.Topology
    • schrodinger.application.desmond.packages.msys._msys.VariantMap
    • schrodinger.application.desmond.packages.msys.molfile._molfile.Writer: Structure or trajectory open for writing
    • schrodinger.application.desmond.packages.msys._msys.atom_t
    • schrodinger.application.desmond.packages.msys._msys.bond_t
    • schrodinger.application.desmond.packages.msys._msys.chain_t
    • schrodinger.application.desmond.packages.msys._msys.component_t
    • schrodinger.application.desmond.packages.united.dimension: a wrapped symbolic dimension.
    • schrodinger.application.desmond.packages.united.quantity: wrapped united symbolic quantity.
    • schrodinger.application.desmond.packages.msys._msys.residue_t
  • int: int(x=0) -> int or long int(x, base=10) -> int or long
    • PyQt5.QtWidgets.QFileDialog.AcceptMode
    • PyQt5.QtWidgets.QAction.ActionEvent
    • PyQt5.QtWidgets.QLineEdit.ActionPosition
    • PyQt5.QtWidgets.QMessageBox.ButtonRole
    • PyQt5.QtWidgets.QAbstractSpinBox.ButtonSymbols
    • PyQt5.QtGui.QMovie.CacheMode
    • PyQt5.QtWidgets.QGraphicsItem.CacheMode
    • PyQt5.QtWidgets.QGraphicsView.CacheModeFlag
    • PyQt5.QtWidgets.QAbstractSpinBox.CorrectionMode
    • PyQt5.QtWidgets.QAbstractItemView.CursorAction
    • PyQt5.QtWidgets.QDialog.DialogCode
    • PyQt5.QtWidgets.QFileDialog.DialogLabel
    • PyQt5.QtWidgets.QProgressBar.Direction
    • PyQt5.QtWidgets.QMainWindow.DockOption
    • PyQt5.QtWidgets.QDockWidget.DockWidgetFeature
    • PyQt5.QtWidgets.QAbstractItemView.DragDropMode
    • PyQt5.QtWidgets.QGraphicsView.DragMode
    • PyQt5.QtWidgets.QAbstractItemView.DropIndicatorPosition
    • PyQt5.QtWidgets.QLineEdit.EchoMode
    • PyQt5.QtWidgets.QAbstractItemView.EditTrigger
    • PyQt5.QtWidgets.QAbstractItemDelegate.EndEditHint
    • PyQt5.QtWidgets.QFileDialog.FileMode
    • PyQt5.QtWidgets.QListView.Flow
    • PyQt5.QtWidgets.QGraphicsItem.GraphicsItemChange
    • PyQt5.QtWidgets.QGraphicsItem.GraphicsItemFlag
    • PyQt5.QtWidgets.QMessageBox.Icon
    • PyQt5.QtWidgets.QFileIconProvider.IconType
    • PyQt5.QtWidgets.QComboBox.InsertPolicy
    • enum.IntEnum: Enum where members are also (and must be) ints
      • schrodinger.surface.ColorFrom: Values for surface color sources.
      • schrodinger.surface.MolSurfType: Types of molecular surfaces.
      • schrodinger.surface.Style: Surface representation styles.
    • PyQt5.QtWidgets.QGraphicsScene.ItemIndexMethod
    • PyQt5.QtWidgets.QTableWidgetItem.ItemType
    • PyQt5.QtCore.QAbstractItemModel.LayoutChangeHint
    • PyQt5.QtWidgets.QListView.LayoutMode
    • schrodinger.ui.maestro_ui.MMENUM_DGO_CHANGED_TYPE
    • schrodinger.infra.projectmodel.MMproj_group_selection_state
    • PyQt5.QtWidgets.QAction.MenuRole
    • PyQt5.QtWidgets.QListView.Movement
    • PyQt5.QtGui.QMovie.MovieState
    • PyQt5.QtWidgets.QGraphicsView.OptimizationFlag
    • PyQt5.QtWidgets.QFileDialog.Option
    • PyQt5.QtWidgets.QFileIconProvider.Option
    • PyQt5.QtGui.QPaintDevice.PaintDeviceMetric
    • PyQt5.QtWidgets.QGraphicsItem.PanelModality
    • PyQt5.QtWidgets.QAction.Priority
    • PyQt5.QtWidgets.QWidget.RenderFlag
    • PyQt5.QtWidgets.QListView.ResizeMode
    • PyQt5.QtWidgets.QGraphicsScene.SceneLayer
    • PyQt5.QtWidgets.QAbstractItemView.ScrollHint
    • PyQt5.QtWidgets.QAbstractItemView.ScrollMode
    • PyQt5.QtWidgets.QAbstractItemView.SelectionBehavior
    • PyQt5.QtCore.QItemSelectionModel.SelectionFlag
    • PyQt5.QtWidgets.QAbstractItemView.SelectionMode
    • PyQt5.QtWidgets.QFrame.Shadow
    • PyQt5.QtWidgets.QFrame.Shape
    • PyQt5.QtWidgets.QAbstractScrollArea.SizeAdjustPolicy
    • PyQt5.QtWidgets.QComboBox.SizeAdjustPolicy
    • PyQt5.QtWidgets.QMessageBox.StandardButton
    • PyQt5.QtGui.QValidator.State
    • PyQt5.QtWidgets.QAbstractItemView.State
    • PyQt5.QtWidgets.QAbstractSpinBox.StepEnabledFlag
    • PyQt5.QtWidgets.QFrame.StyleMask
    • PyQt5.QtWidgets.QTabWidget.TabPosition
    • PyQt5.QtWidgets.QTabWidget.TabShape
    • PyQt5.QtWidgets.QToolButton.ToolButtonPopupMode
    • PyQt5.QtWidgets.QFileDialog.ViewMode
    • PyQt5.QtWidgets.QListView.ViewMode
    • PyQt5.QtWidgets.QGraphicsView.ViewportAnchor
    • PyQt5.QtWidgets.QGraphicsView.ViewportUpdateMode
    • schrodinger.ui.qt.table_helper._Column: A table column.
      • schrodinger.ui.qt.table_helper._ColumnEnumValue: A _Column object that is created during a TableColumns instantiation.
        • schrodinger.ui.qt.table_helper.TableColumns: An enum for listing table columns.
          • schrodinger.application.msv.gui.viewmodel.AlignmentInclusionColumns: An enum for the left-hand fixed columns.
          • schrodinger.application.msv.gui.viewmodel.AlignmentMetricsColumns: An enum for the right-hand fixed columns.
          • schrodinger.application.phase.featureselector.FeatureColumns
          • schrodinger.application.phase.phase_widgets.HypothesisColumns
          • schrodinger.ui.picking.PickResidueColumns
          • schrodinger.ui.picking._BasePickColumns
    • bool: bool(x) -> bool
    • unreachable.enum
      • schrodinger.application.desmond.packages.msys._msys.AnnotatedSystemFlags
      • schrodinger.application.desmond.packages.msys._msys.Category
      • schrodinger.application.desmond.packages.msys._msys.CloneOption
      • schrodinger.application.desmond.packages.msys._msys.DMSExportFlags
      • schrodinger.application.desmond.packages.msys._msys.MaeExportFlags
      • schrodinger.application.desmond.packages.msys._msys.Mol2ExportFlags
      • schrodinger.application.desmond.packages.msys._msys.PDBExportFlags
    • schrodinger.ui.sketcher.sketcherMouseAction
  • schrodinger.infra.mmjob.istream
    • schrodinger.infra.mmjob.ifstream
  • schrodinger.infra.mmgpgpu.istream
    • schrodinger.infra.mmgpgpu.ifstream
  • schrodinger.utils.colorscheme.istream
    • schrodinger.utils.colorscheme.ifstream
  • schrodinger.infra.mmsurf.istream
    • schrodinger.infra.mmsurf.ifstream
  • schrodinger.application.jaguar.textparser.line_enumerate: A simple wrapper class to keep track of the line iteration count.
  • list: list() -> new empty list list(iterable) -> new list initialized from iterable's items
    • schrodinger.utils.sea.List: This class represents the "list" parameters in a config file.
    • schrodinger.application.desmond.mdkey.List
    • schrodinger.infra.util.OneIndexedList: A list that starts at one instead of zero
  • schrodinger.infra.mmjob.ostream
    • schrodinger.infra.mmjob.ofstream
      • schrodinger.infra.mmjob.TemporaryOFStream: A subclass of ofstream that uses the tempfile module to get a temporary filename and automatically deletes itself at garbage collection.
  • schrodinger.infra.mmsurf.ostream
    • schrodinger.infra.mmsurf.ofstream
      • schrodinger.infra.mmsurf.TemporaryOFStream: A subclass of ofstream that uses the tempfile module to get a temporary filename and automatically deletes itself at garbage collection.
  • schrodinger.infra.mmgpgpu.ostream
    • schrodinger.infra.mmgpgpu.ofstream
      • schrodinger.infra.mmgpgpu.TemporaryOFStream: A subclass of ofstream that uses the tempfile module to get a temporary filename and automatically deletes itself at garbage collection.
  • schrodinger.utils.colorscheme.ostream
    • schrodinger.utils.colorscheme.ofstream
      • schrodinger.utils.colorscheme.TemporaryOFStream: A subclass of ofstream that uses the tempfile module to get a temporary filename and automatically deletes itself at garbage collection.
  • schrodinger.application.desmond.replica_dE.replica_container
  • schrodinger.application.desmond.replica_dE.replica_energy
  • schrodinger.application.desmond.replica_dE.replicas_monitor
  • sip.simplewrapper
    • PyQt5.QtWidgets.QGraphicsView.CacheMode: QGraphicsView.CacheMode() QGraphicsView.CacheMode(Union[QGraphicsView.CacheMode, QGraphicsView.CacheModeFlag]) QGraphicsView.CacheMode(QGraphicsView.CacheMode)
    • PyQt5.QtWidgets.QMainWindow.DockOptions: QMainWindow.DockOptions() QMainWindow.DockOptions(Union[QMainWindow.DockOptions, QMainWindow.DockOption]) QMainWindow.DockOptions(QMainWindow.DockOptions)
    • PyQt5.QtWidgets.QDockWidget.DockWidgetFeatures: QDockWidget.DockWidgetFeatures() QDockWidget.DockWidgetFeatures(Union[QDockWidget.DockWidgetFeatures, QDockWidget.DockWidgetFeature]) QDockWidget.DockWidgetFeatures(QDockWidget.DockWidgetFeatures)
    • PyQt5.QtWidgets.QAbstractItemView.EditTriggers: QAbstractItemView.EditTriggers() QAbstractItemView.EditTriggers(Union[QAbstractItemView.EditTriggers, QAbstractItemView.EditTrigger]) QAbstractItemView.EditTriggers(QAbstractItemView.EditTriggers)
    • PyQt5.QtWidgets.QGraphicsItem.GraphicsItemFlags: QGraphicsItem.GraphicsItemFlags() QGraphicsItem.GraphicsItemFlags(Union[QGraphicsItem.GraphicsItemFlags, QGraphicsItem.GraphicsItemFlag]) QGraphicsItem.GraphicsItemFlags(QGraphicsItem.GraphicsItemFlags)
    • PyQt5.QtWidgets.QGraphicsView.OptimizationFlags: QGraphicsView.OptimizationFlags() QGraphicsView.OptimizationFlags(Union[QGraphicsView.OptimizationFlags, QGraphicsView.OptimizationFlag]) QGraphicsView.OptimizationFlags(QGraphicsView.OptimizationFlags)
    • PyQt5.QtWidgets.QFileDialog.Options: QFileDialog.Options() QFileDialog.Options(Union[QFileDialog.Options, QFileDialog.Option]) QFileDialog.Options(QFileDialog.Options)
    • PyQt5.QtWidgets.QFileIconProvider.Options: QFileIconProvider.Options() QFileIconProvider.Options(Union[QFileIconProvider.Options, QFileIconProvider.Option]) QFileIconProvider.Options(QFileIconProvider.Options)
    • PyQt5.QtWidgets.QFileIconProvider: QFileIconProvider()
      • schrodinger.ui.qt.filedialog.PhaseDatabaseIconProvider: Class to ensure that projects get the proper icon in the file open dialog, and also are labeled as type "Project"
      • schrodinger.ui.qt.filedialog._CustomIconProvider: Class to ensure that Schrodinger file (and directory) types get a proper icon in the QFileDialog.
    • PyQt5.QtGui.QPaintDevice: QPaintDevice()
      • PyQt5.QtWidgets.QWidget: QWidget(parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = Qt.WindowFlags())
        • schrodinger.application.msv.gui.msv_widget.AbstractMsvWidget
          • schrodinger.application.msv.gui.msv_widget.ProteinAlignmentMsvWidget
        • schrodinger.application.prime.gui.analyze_energy.AnalyzeEnergyWidget
        • schrodinger.ui.qt.appframework2.baseapp.BasePanel
          • schrodinger.ui.qt.appframework2.baseapp.ValidatedPanel
            • schrodinger.ui.qt.appframework2.af2.App
              • schrodinger.utils.welcome_dialog_dir.base_welcome.BaseWelcome
                • schrodinger.utils.welcome_dialog.WelcomeDialog
              • schrodinger.ui.qt.appframework2.af2.JobApp
                • schrodinger.application.jaguar.gui.base_panel.BaseJaguarPanel: A base class for all Jaguar GUIs.
                  • schrodinger.application.jaguar.gui.base_panel.StandardPanel: A convenience class for standard Jaguar panels that:
                  • schrodinger.application.jaguar.gui.base_panel.StandardPanelNoInputTab: A convenience class for standard Jaguar panels that use a "Molecule" tab (with a basis selector) in place of an "Input" tab.
                    • schrodinger.application.jaguar.gui.base_panel.MultiStructurePanel: A convenience class for standard Jaguar panels that use a MultiStructureTab.
                • schrodinger.application.desmond.gui.GuiApp: Base class of several Desmond panel GUI's (see its subclasses below).
                • schrodinger.application.matsci.guibase.MultiJobApp: Subclass of AF2 JobApp that allows launching multiple simultanious jobs.
                  • schrodinger.application.matsci.guibase.MultiDesmondJobApp: Class with functionality for setting up, validating and running multiple Desmond jobs.
                • schrodinger.application.matsci.reordergui.ReorderAtomPanel: A simple panel that takes two selected entries and allows one of them to be reordered - this is mainly for testing and example purposes.
              • schrodinger.application.msv.gui.msv_gui.MSVPanel
            • schrodinger.ui.qt.appframework2.settings.BaseOptionsPanel: A base class for options dialogs that report all settings via a dictionary.
              • schrodinger.application.prime.gui.analyze_energy.AnalyzeEnergyOptions
        • schrodinger.application.jaguar.gui.tabs.input_sub_tabs.base_sub_tab.BaseSubTab: A base-class for all Input tab sub-tabs.
          • schrodinger.application.jaguar.gui.tabs.input_sub_tabs.basis_set.BasisSetSubTab: An Input tab sub-tab for per-atom basis sets
          • schrodinger.application.jaguar.gui.tabs.input_sub_tabs.charge_constraints.ChargeConstraintsSubTab: An Input tab sub-tab for charge constraints.
        • schrodinger.application.jaguar.gui.tabs.base_tab.BaseTab: The base class for all Jaguar tabs.
          • schrodinger.application.jaguar.gui.tabs.coordinates.CoordinateTab: A parent class for the Scan and Optimization tabs
            • schrodinger.application.jaguar.gui.tabs.optimization_tab.OptimizationTab
            • schrodinger.application.jaguar.gui.tabs.scan_tab.ScanTab
              • schrodinger.application.jaguar.gui.tabs.scan_tab.ScanTabNextGeom: A scan tab that allows the user to configure how the determine the next initial geometry
          • schrodinger.application.jaguar.gui.tabs.input_tab.InputTabBase: A tab for specifying settings for the structures currently selected in the project table.
            • schrodinger.application.jaguar.gui.tabs.input_tab.InputTab: An input tab that allows the user to specify basis sets.
              • schrodinger.application.jaguar.gui.tabs.input_tab.InputTabWithSubTabs: An Input tab with sub-tabs on the bottom.
            • schrodinger.application.jaguar.gui.tabs.input_tab.InputTabHB: An input tab that is used with Hydrogen Bond task.
            • schrodinger.application.jaguar.gui.tabs.input_tab.InputTabPka: An input tab that allows the user to specify pKa atoms.
          • schrodinger.application.jaguar.gui.tabs.molecule_tab.MoleculeTabBase: The base class for all molecule tabs.
            • schrodinger.application.jaguar.gui.tabs.molecule_tab.MoleculeTab: The standard molecule tab
              • schrodinger.application.jaguar.gui.tabs.molecule_tab.MoleculeTabNoInputSelector: A Molecule tab that does not use the input selector
            • schrodinger.application.jaguar.gui.tabs.molecule_tab.MoleculeTabPka: The molecule tab used in the PKA panel
          • schrodinger.application.jaguar.gui.tabs.multi_structure_tab.MultiStructureTab: A parent class for tabs that allow transition state, reactant, and product structures to be selected.
            • schrodinger.application.jaguar.gui.tabs.irc_tab.IrcTab
            • schrodinger.application.jaguar.gui.tabs.transition_state_tab.TransitionStateTab
          • schrodinger.application.jaguar.gui.tabs.output_tab.OutputTab: Output tab for the Jaguar panels.
          • schrodinger.application.jaguar.gui.tabs.properties_tab.PropertiesTabBase
            • schrodinger.application.jaguar.gui.tabs.properties_tab.PropertiesTab
            • schrodinger.application.jaguar.gui.tabs.properties_tab.PropertiesTabIGO
          • schrodinger.application.jaguar.gui.tabs.reaction_molecules_tab.ReactionMoleculesTab: " The Molecules tab used in the Reactions panel.
          • schrodinger.application.jaguar.gui.tabs.reaction_properties_tab.ReactionPropertiesTab
          • schrodinger.application.jaguar.gui.tabs.reaction_tab.ReactionTab
          • schrodinger.application.jaguar.gui.tabs.scf_tab.ScfTab: This is the basic SCF tab that is used for majority of tasks.
            • schrodinger.application.jaguar.gui.tabs.scf_tab.ScfTabConsistentOrbitals: This tab is used for SPE and Optimizations tasks and includes the "Use consistent orbital sets when all input structures are isomers" check box
            • schrodinger.application.jaguar.gui.tabs.scf_tab.ScfTabIGO: This tab is used for 'Initial Guess Only' task.
          • schrodinger.application.jaguar.gui.tabs.solvation_tab.SolventTab: The Solvent tab that contains only solvent model widgets.
            • schrodinger.application.jaguar.gui.tabs.solvation_tab.SolvationTab: The Solvation tab, which includes solvent model and gas-phase reference energy
              • schrodinger.application.matsci.mswidgets.EmbeddedSolventWidget: A master widget that contains the widgets from the Jaguar Solvation tab and is convenient to use outside the Jaguar gui environment.
              • schrodinger.application.jaguar.gui.tabs.solvation_tab.SolvationTabNoOptimized: A solvation tab that doesn't allow "Optimized gas-phase structure".
            • schrodinger.application.jaguar.gui.tabs.solvation_tab.SolventPkaTab: The Solvent tab for the Pka panel.
          • schrodinger.application.jaguar.gui.tabs.theory_tab.TheoryTab: A tab for selecting the level of theory.
            • schrodinger.application.jaguar.gui.tabs.theory_tab.TheoryTabNoSoZora: A theory tab that removes the Spin-orbit ZORA option.
              • schrodinger.application.jaguar.gui.tabs.theory_tab.TheoryTabOptimization: This tab is used for 'Optimization' task.
            • schrodinger.application.jaguar.gui.tabs.theory_tab.TheoryTabWithSoZora: A theory tab that includes Spin-orbit ZORA option.
        • schrodinger.application.msv.gui.popup_dialogs.ColorCircleToggleGroupWidget: A widget that contains a text label and a number of colored circle toggles.
        • schrodinger.application.msv.gui.color_editor.ColorEditor: An editor for developing new color themes for MSV.
        • schrodinger.application.jaguar.gui.tabs.theory_tab.ComboRadioSelector: This is compound widget for selecting categorized choices.
          • schrodinger.application.jaguar.gui.tabs.theory_tab.DFTComboRadioSelector: Customized ComboRadioSelector which adds on the radio button for enabling and disabling the combobox and radio buttons.
        • schrodinger.application.desmond.cwidget.EntryField: A special composite widget which contains a labeled line edit field.
        • schrodinger.application.desmond.cwidget.FileEntry: Class combining a QLabel, QLineEdit, and a QPushButton (Browse...).
        • schrodinger.application.bioluminate.antibody.search_results_table.FullTable: A widget to contain the full search results table
        • schrodinger.application.desmond.fep_gui.HelpLabel: A special composite widget which contains 2 help labels.
        • schrodinger.application.phase.phase_widgets.HypothesesListWidget: Widget that shows list of Project Table hypotheses.
        • schrodinger.application.bioluminate.bwidgets.ImportWidget
        • schrodinger.ui.ligfilter.LigfilterFrame: Frame for setting up Ligfilter jobs, including property/SMARTS criteria and new definitions.
        • schrodinger.ui.qt.propertyselector.MyWindow
        • PyQt5.QtWidgets.QAbstractButton: QAbstractButton(parent: QWidget = None)
          • PyQt5.QtWidgets.QCheckBox: QCheckBox(parent: QWidget = None) QCheckBox(str, parent: QWidget = None)
            • schrodinger.application.msv.gui.popup_dialogs.IconLabelToggle: Customized checkbox with an image icon on the left, which changes upon clicking.
            • schrodinger.application.desmond.fep_gui.PickAtomToggle: Pick atom widget with a precommand feature.
            • schrodinger.application.desmond.fep_gui.PickBondToggle: Pick bond widget with a precommand feature.
            • schrodinger.ui.qt.swidgets.SCheckBox: A QCheckBox that accepts the command callback for the clicked() signal as an argument
              • schrodinger.ui.qt.swidgets.SCheckBoxWithSubWidget: This creates a checkbox that controls the enabled/disabled state of a subwidget.
                • schrodinger.application.matsci.clusterstructgui.MonomerSpeciesSelector: Checkbox and combo that allows the user to select a species.
                  • schrodinger.application.matsci.clusterstructgui.DimerSpeciesSelector: Checkbox and combo that allows the user to select a species for the purpose of selecting dimers with or without the given species.
                • schrodinger.application.matsci.mswidgets.SaveDesmondFilesWidget: Standardized checkbox with combo to provide options for saving intermediate Desmond job files.
            • schrodinger.application.jaguar.gui.utils.WorkspaceInclusionCheckBox: A checkbox that is skinned to look like the Project Table workspace inclusion checkbox.
          • PyQt5.QtWidgets.QPushButton: QPushButton(parent: QWidget = None) QPushButton(str, parent: QWidget = None) QPushButton(QIcon, str, parent: QWidget = None)
            • schrodinger.application.msv.gui.color_editor.QColorButton: A button for selecting colors.
            • schrodinger.application.bioluminate.bwidgets.QuickHelpButton: A help button that has a blue gradient
          • PyQt5.QtWidgets.QToolButton: QToolButton(parent: QWidget = None)
            • schrodinger.application.matsci.mswidgets.StageControlButton: The QToolButtons on the right of each StageFrame
            • schrodinger.ui.qt.pop_up_widgets.ToolButtonWithPopUp: A checkable tool button with a pop up that appears whenever the button is pressed.
              • schrodinger.application.msv.gui.popup_dialogs.ColorButtonWithPopUp: A checkable button with text "Color" that has a pop up
              • schrodinger.application.msv.gui.popup_dialogs.QuickAnnotateButtonWithPopUp: A checkable button with text "Quick Annotate" that has a pop up
              • schrodinger.application.msv.gui.popup_dialogs.ViewButtonWithPopUp: A checkable button with text "View" that has a pop up
            • schrodinger.ui.qt.appframework._ToolButton
              • schrodinger.ui.qt.appframework.JobStatusToolButton
        • PyQt5.QtWidgets.QAbstractSpinBox: QAbstractSpinBox(parent: QWidget = None)
          • PyQt5.QtWidgets.QSpinBox: QSpinBox(parent: QWidget = None)
            • schrodinger.application.jaguar.gui.input_tab_widgets.BlankableSpinBox: A spin box that allows the empty string as an acceptable value
        • PyQt5.QtWidgets.QComboBox: QComboBox(parent: QWidget = None)
          • schrodinger.ui.qt.pop_up_widgets.ComboBoxWithPopUp: A combo box with a pop up that appears whenever the menu is pressed.
            • schrodinger.ui.residueselector.MutationSelectorComboBox: This combo box will show a residue type selection pop-up box when clicked.
          • schrodinger.application.desmond.fep_gui.CustomGPUComboBox
          • schrodinger.ui.qt.multi_combo_box.MultiComboBox: A combo box that allows multiple items to be selected.
            • schrodinger.application.phase.phase_widgets.FeatureMatchCombo: This class defines special variant of a combo box used in Edit Feature dialog to define features that are allowed and forbidden to match.
            • schrodinger.application.phase.phase_widgets.FeatureOptionsCombo: MultiComboBox containing feature presets.
          • schrodinger.ui.qt.swidgets.SComboBox: A QComboBox widget with several Pythonic enhancements.
            • schrodinger.application.jaguar.gui.utils.EnhancedComboBox: A combo box for use in the Jaguar GUI with several Pythonic enhancements
            • schrodinger.application.msv.gui.popup_dialogs.MsvComboBox: Subclass of swidgets.SComboBox that defines functionality to synchronize options with tabbed MSV widgets.
              • schrodinger.application.msv.gui.popup_dialogs.ColorSchemeComboBox: Class specifically for setting color.RowColorScheme info via a combo box.
            • schrodinger.application.matsci.builderwidgets.TemplateCombo: A Combo Box for managing template lists
            • schrodinger.application.jaguar.gui.input_tab_widgets.UseFromCombo: A combo box that allows the user to select the source for the project table: either included entries or selected entries.
        • PyQt5.QtWidgets.QDialog: QDialog(parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = Qt.WindowFlags())
          • schrodinger.application.bioluminate.antibody.management.ActiveDatabaseDialog: Modal dialog window that allows users to set active databases.
          • schrodinger.ui.ligfilter.AddDefinitionDialog: Frame for generating a pattern definition.
          • schrodinger.ui.chooseligand.ChooseLigandDialog
          • schrodinger.application.bioluminate.pml_menus.ColorChooserPanel: A window that lets the user choose a Maestro color.
          • schrodinger.application.jaguar.gui.base_panel.CoordinateDialog: This dialog allows user to select corrective action when the same coordinate is found in the lists of scans and constraints.
          • schrodinger.application.pldb.packages.pldb_gui_shell_dir.credentials_dialog_shell.CredentialsDialogShell
          • schrodinger.ui.ligfilter.DefinitionViewerDialog: Frame containing a text box with a text display of the definition.
          • schrodinger.infra.exception_handler_dir.exception_dialog.ExceptionDialog: A dialog for showing exceptions to users
          • schrodinger.application.msv.gui.get_sequences_dialog.GetSequencesDialog: A dialog for pulling sequences from online databases.
          • schrodinger.ui.picking.MaestrolessPickLigandDialog: Dialog to allow users to pick ligands outside of Maestro.
          • schrodinger.application.msv.gui.tab_widget.NewTabNameDialog
          • schrodinger.application.pldb.packages.pldb_gui_shell_dir.client_shell.PLDBProxyAuthDialogShell
          • schrodinger.application.bioluminate.propfilter.PropFilterDialog: Panel to allow the user to define criteria for filtering property values
          • schrodinger.ui.qt.propertyselector.PropertySelectorDialog: A popup window that allows the user to grab a property.
          • PyQt5.QtWidgets.QFileDialog: QFileDialog(QWidget, Union[Qt.WindowFlags, Qt.WindowType]) QFileDialog(parent: QWidget = None, caption: str = '', directory: str = '', filter: str = '')
            • schrodinger.ui.qt.filedialog.FileDialog: File browser dialog with custom sidebar.
              • schrodinger.application.jaguar.gui.filedialog.FileDialogWithExtraCombo: A Qt file dialog with an extra combo box about the filename text edit
                • schrodinger.application.jaguar.gui.filedialog.ReadFileDialog: An Open dialog both with an extra combo box to specify what should be read from the specified file.
              • schrodinger.application.msv.gui.msv_widget.MSVImageExportDialog
              • schrodinger.application.bioluminate.bwidgets.SequenceFileDialog: Custom class to handle opening files related to sequences.
            • schrodinger.ui.qt.filedialog.OpenDirAsFileDialog: A file dialog tailored to allow the user to "open" directories such as projects or phase databases as if they were files.
              • schrodinger.ui.qt.filedialog.PhaseDatabaseOpenDialog: A file dialog tailored to opening Phase databases.
              • schrodinger.ui.qt.filedialog.ProjectOpenDialog: A file dialog tailored to opening Projects.
          • PyQt5.QtWidgets.QMessageBox: QMessageBox(parent: QWidget = None) QMessageBox(QMessageBox.Icon, str, str, buttons: Union[QMessageBox.StandardButtons, QMessageBox.StandardButton] = QMessageBox.NoButton, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = Qt.Dialog|Qt.MSWindowsFixedSizeDialogHint)
            • schrodinger.ui.qt.appframework.DontShowAgainDialog: Dialog that displays information for the user and contains a Don't Show This again checkbox
          • schrodinger.application.matsci.reordergui.ReorderAtomsDialog: A Window-Modal dialog that allows the user to reorder atoms in a comparison structure based on a reference structure.
          • schrodinger.ui.qt.swidgets.SDialog: A Base Dialog class for easier Dialog creation
            • schrodinger.application.matsci.jobdirdlg.NewJobDirDialog: SDialog to allow the user to read in information for a new job.
          • schrodinger.application.matsci.builderwidgets.SketchDialog: A Dialog window that opens a SketcherBox instance
          • schrodinger.application.matsci.mswidgets.SolventDialog: A Dialog that allows the user to pick a solvent model, solvent and parameters.
          • schrodinger.application.desmond.cwidget.StartDialogBase
            • schrodinger.application.desmond.cwidget.StartDialog1
            • schrodinger.application.desmond.cwidget.StartDialog2
          • schrodinger.application.matsci.builderwidgets.TemplateManager: A dialog that manages the user templates - currently only allows deletion
          • schrodinger.application.bioluminate.propfilter.ValueSelectionDialog: A SFilteredListWidget that allows the user to select certain values of a property for the criterion.
          • schrodinger.ui.picking._BaseMaestrolessPickResDialog: Base class for picking residues outside of Maestro
            • schrodinger.ui.picking.MaestrolessPickResidueDialog: Class for picking residues outside of Maestro.
        • PyQt5.QtWidgets.QDockWidget: QDockWidget(str, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = Qt.WindowFlags()) QDockWidget(parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = Qt.WindowFlags())
          • schrodinger.ui.maestro_ui.MM_QDockWidget
            • schrodinger.ui.qt.appframework.AppDockWidget: A DockWidget that calls the parent class's closeEvent when closing
          • schrodinger.application.bioluminate.ssv.viewer.SequenceDockWidget: The dock widget that can set a ViewerWindow as the main widget.
        • PyQt5.QtWidgets.QFrame: QFrame(parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = Qt.WindowFlags())
          • schrodinger.application.matsci.mswidgets.CompactSolventSelector: A single line of widgets that displays the currently chosen solvent and a button that will open a dialog allowing a new solvent model/solvent choice.
          • schrodinger.application.matsci.mswidgets.Divider: A raised divider line
          • schrodinger.application.desmond.gui.HorizontalBar
          • schrodinger.application.desmond.fep_gui.HorizontalBar
          • schrodinger.ui.residueselector.MutationSelectorFrame: This frame contains widgets for selecting one or more residue type (e.g.
            • schrodinger.ui.residueselector.MutationSelectorPopUp: A popup editor for selecting residue mutation targets.
          • schrodinger.application.msv.gui.popup_dialogs.PlusMinusWidget
          • schrodinger.ui.qt.pop_up_widgets.PopUp: The base class for pop up widgets.
            • schrodinger.application.msv.gui.popup_dialogs.BaseMsvPopup: Base class for MSV popup dialogs.
              • schrodinger.application.msv.gui.popup_dialogs.ColorPopUp: A popup dialog to provide options for color settings.
              • schrodinger.application.msv.gui.popup_dialogs.QuickAnnotationPopup: Popup dialog for performing annotations.
              • schrodinger.application.msv.gui.popup_dialogs.ViewStylePopUp: A popup dialog to provide options for viewing style
            • schrodinger.ui.residueselector.MutationSelectorPopUp: A popup editor for selecting residue mutation targets.
            • schrodinger.application.jaguar.gui.basis_selector._BasisSelectorPopUp: The pop up window that is displayed adjacent to BasisSelectorLineEdit
              • schrodinger.application.jaguar.gui.basis_selector.BasisSelector: A widget for selecting a Jaguar basis set without a line edit.
            • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.charge_selector._ChargeSelectorPopUp: The pop up window that is displayed adjacent to L(ChargeSelectorLineEdit}
          • schrodinger.ui.qt.appframework.PopUpWidget
          • PyQt5.QtWidgets.QAbstractScrollArea: QAbstractScrollArea(parent: QWidget = None)
            • PyQt5.QtWidgets.QAbstractItemView: QAbstractItemView(parent: QWidget = None)
              • PyQt5.QtWidgets.QListView: QListView(parent: QWidget = None)
                • PyQt5.QtWidgets.QListWidget: QListWidget(parent: QWidget = None)
                  • schrodinger.ui.qt.swidgets.SListWidget: A QListWidget that can set its items and set up a callback at creation.
                    • schrodinger.ui.qt.swidgets.SFilteredListWidget: An SListWidget with an additional line edit that can be used to filter the items within the ListWidget
                      • schrodinger.application.bioluminate.propfilter.SelectingFilteredListWidget: A QListWidget that contains a edit to allow the user to filter the contents of the widget.
                    • schrodinger.application.matsci.reordergui.StructureListWidget: A QListWidget that interacts with a structure picture to select atoms.
                      • schrodinger.application.matsci.reordergui.ComparisonListWidget: The list widget for the Comparison structure.
                      • schrodinger.application.matsci.reordergui.ReferenceListWidget: The ListWidget for the reference structure.
              • PyQt5.QtWidgets.QTableView: QTableView(parent: QWidget = None)
                • schrodinger.application.jaguar.gui.utils.ProjTableLikeView: A table view that mimics the selecting and editing behaviors of the Project Table
                  • schrodinger.application.jaguar.gui.input_tab_widgets.InputEntriesView: The view for the input entries table
                    • schrodinger.application.jaguar.gui.input_tab_widgets_pka.InputEntriesViewPka: The view for the pKa selected entries table
                  • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.base_widgets.SubTabTableView: A table view with a right click menu for removing selected rows.
                    • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.basis_set_widgets.BasisSetTableView
                    • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.charge_constraints_widgets.ChargeConstraintsTableView: The view for the charge constraints.
                • PyQt5.QtWidgets.QTableWidget: QTableWidget(parent: QWidget = None) QTableWidget(int, int, parent: QWidget = None)
                  • schrodinger.application.bioluminate.antibody.management.ActiveDatabaseTable: Table that is used to show and carry out actions on all databases loaded by user.
                  • schrodinger.ui.qt.appframework.JobTable
                  • schrodinger.application.jaguar.gui.utils.PropertiesTableWidget: A QTableWidget for the Properties table on the Properties tab
                  • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.charge_selector._ChargeSelectorTableWidget: The table used to specify weights for a charge constraint
                • schrodinger.application.bioluminate.antibody.search_results_table.TableView: A table view for both full and split search results.
                • schrodinger.ui.qt.structtable.ViewerTable
                  • schrodinger.application.combiglide.combenumdock.editableViewerTable
              • PyQt5.QtWidgets.QTreeView: QTreeView(parent: QWidget = None)
                • schrodinger.application.msv.gui.view.AbstractAlignmentView
                  • schrodinger.application.msv.gui.view.NoScrollAlignmentView: Alignment view without scroll bars, used in saving the entire alignment as an image.
                  • schrodinger.application.msv.gui.view.ProteinAlignmentView
                • schrodinger.application.msv.gui.view.BaseFixedColumnsView: Class for fixed column views to be shown alongside an alignment view.
                  • schrodinger.application.msv.gui.view.AlignmentInclusionView: View for the fixed columns to the left of the alignment that includes the structure title.
                  • schrodinger.application.msv.gui.view.AlignmentInfoView: View for the fixed columns to the right of the alignment that includes sequence identity and homology.
                • schrodinger.ui.maestro_ui.maestro.SHView
            • PyQt5.QtWidgets.QGraphicsView: QGraphicsView(parent: QWidget = None) QGraphicsView(QGraphicsScene, parent: QWidget = None)
              • schrodinger.ui.dendro.DendrogramView
              • schrodinger.application.combiglide.combenumdock._StructView
              • schrodinger.ui.sketcher.sketcherView
              • schrodinger.ui.qt.structure2d.structure_view: View which holds a structure_item object
                • schrodinger.application.jaguar.gui.tabs.reaction_tab.ParticipantView: This class is a subclass of a QGraphicsView that holds a single structure_item, to display a single 2D structure.
                • schrodinger.application.matsci.reordergui.StructureView: View which holds a structure_item object
            • PyQt5.QtWidgets.QScrollArea: QScrollArea(parent: QWidget = None)
              • schrodinger.application.phase.featureselector.FeatureSelector: This frame contains widgets for selecting one or more features in a hypothesis (e.g.
              • schrodinger.application.matsci.mswidgets.MultiStageArea: A scrollable frame meant to hold multiple stages.
          • PyQt5.QtWidgets.QLabel: QLabel(parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = Qt.WindowFlags()) QLabel(str, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = Qt.WindowFlags())
            • schrodinger.application.desmond.fep_gui.AdvLabel: A mutli-line label with small, bold text.
            • schrodinger.application.desmond.cwidget.AdvLabel: A mutli-line label with small, bold text.
            • schrodinger.application.msv.gui.popup_dialogs.ClickableLabel: A label that emits a 'clicked' signal when clicked
              • schrodinger.application.msv.gui.popup_dialogs.ColorCircleToggle: A label composed of a sphere filled with a solid color.
              • schrodinger.application.msv.gui.popup_dialogs.DarkBackgroundLabel: A label that has dark background and text in white
            • schrodinger.application.bioluminate.pml_menus.ColorLabel: A label that shows off the color each element will be colored if this menu item is chosen.
            • schrodinger.application.msv.gui.popup_dialogs.GrayLabel: A label with smaller font and gray text, white background
            • schrodinger.ui.qt.swidgets.SLabel: A QLabel that can pack itself into a layout upon creation
              • schrodinger.application.matsci.builderwidgets.StructureLabel: A label that gives information about the ligand for a given row and shows the set structure in a tooltip.
            • schrodinger.ui.qt.structure2d.StructurePicture: This is the label that normally stores the picture of the molecule.
              • schrodinger.ui.qt.structure2d.StructureToolTip: A tooltip that shows a chemical structure
                • schrodinger.application.matsci.builderwidgets.RGroupStructureToolTip: A structure tooltip that displays Rx labels for the Rx atoms
          • PyQt5.QtWidgets.QSplitter: QSplitter(parent: QWidget = None) QSplitter(Qt.Orientation, parent: QWidget = None)
            • schrodinger.ui.sequencealignment.sequence_viewer.SequenceViewer: The sequence viewer widget displays and manipulates sequences and associated data.
              • schrodinger.application.bioluminate.ssv.viewer.SimplifiedSequenceViewer: Creates a sequence viewer that can be opened by an action or added to a main window as a dockable item.
          • schrodinger.application.matsci.qualityslider.QualitySlider: A widget that allows the user to see and edit the Jaguar keywords for three different accuracy levels.
          • schrodinger.application.matsci.reordergui.ReorderAtomFrame: A frame which allows the user to reorder the atoms of a comparison structure based on the atom order of a reference structure.
          • schrodinger.application.bioluminate.protein_report_widget.ReportFrame: A QtWidgets.QFrame that contains a Protein Report
            • schrodinger.application.bioluminate.protein_structure_quality.MultiReportWithChart: A Protein Report widget that can deal with multiple protein structures and also has a slider chart that can be used to select residues.
          • schrodinger.application.bioluminate.pml_menus.ResultsWindow
          • schrodinger.ui.qt.swidgets.SFrame: A Frame that can be placed in a layout and is given a layout when created
            • schrodinger.application.matsci.chargegui.BasisSetSelector: A frame that contains a label, line edit and pop up widgets for specifying a basis set
            • schrodinger.application.matsci.cgforcefieldgui.CGForceFieldSelector: A set of widgets to allow selecting the coarse-grained force field
            • schrodinger.application.matsci.builderwidgets.ItemRow: A row of control widgets for a ligand
              • schrodinger.application.matsci.builderwidgets.ItemRowWithTemplates: An ItemRow that holds the data for one unit and includes a combo for choosing Template structures
            • schrodinger.application.matsci.chargegui.NeighborTreatment: An SFrame that contains a set of widgets that allows the user to pick whether neighboring atoms will be dealt with as atoms, existing charges or on-the-fly ESP charges
            • schrodinger.application.matsci.jobdirdlg.NewJobDirFrame: A collection of widgets that reads in the JobDB and puts jobs in a table that can be selected.
            • schrodinger.application.matsci.builderwidgets.SketcherBox: Set of widgets that controls a 2D sketcher and has additional widgets that allow the user to load/save/delete templates for the sketcher and import structures from the workspace into the sketcher.
              • schrodinger.application.matsci.builderwidgets.ComplexTemplateSketcher: A 2D sketcher that is decorated with a number of widgets for creating and saving templates.
            • schrodinger.application.matsci.mswidgets.StageFrame: The base frame for a stage in a MultiStageArea
          • schrodinger.application.bioluminate.sliderchart.SliderPlot: A chart that contains four lines the user can slide to select a region of the chart.
          • schrodinger.application.matsci.reordergui.StructureFrame: A QFrame that contains a 2D image of a structure.
            • schrodinger.application.matsci.reordergui.ComparisonFrame: The StructureFrame for the Comparison structure
            • schrodinger.application.matsci.reordergui.ReferenceFrame: The StructureFrame for the Reference structure
        • PyQt5.QtWidgets.QGroupBox: QGroupBox(parent: QWidget = None) QGroupBox(str, parent: QWidget = None)
          • schrodinger.application.desmond.fep_gui._ProtItem: Frame for each checkable group of the second tab of the panel (Plan Calculation).
          • schrodinger.application.desmond.cwidget._SdIncorpFrame: The incorporation (output) frame of the start dialog.
          • schrodinger.application.desmond.cwidget._SdJobFrame: Frame for the master job options
          • schrodinger.application.desmond.cwidget._SdMasterjob
          • schrodinger.application.desmond.cwidget._SdSubjobFrame
        • PyQt5.QtWidgets.QLineEdit: QLineEdit(parent: QWidget = None) QLineEdit(str, parent: QWidget = None)
          • schrodinger.ui.qt.pop_up_widgets.LineEditWithPopUp: A line edit with a pop up that appears whenever the line edit has focus.
            • schrodinger.application.jaguar.gui.basis_selector.BasisSelectorLineEdit: A line edit that can be used to select a basis set.
            • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.charge_selector.ChargeSelectorLineEdit: A line edit that can be used to select constraint's charge and individual atom weights.
            • schrodinger.ui.residueselector.MutationSelectorLineEdit: This line edit will show a residue type selection pop-up box when clicked.
          • schrodinger.ui.maestro_ui.MM_QLineEdit
          • schrodinger.application.bioluminate.bwidgets.NumericLineEdit: A QtWidgets.QLineEdit with a builtin validator for floats or integers.
          • schrodinger.ui.qt.swidgets.SLineEdit: A QLineEdit that accepts a validator as one of its arguments
            • schrodinger.application.matsci.atomicsymbolsgui.ElementEdit: A QLineEdit that only accepts atomic symbols and always contains the last valid value when it loses keyboard focus
            • schrodinger.ui.qt.swidgets.SLabeledEdit: An SLineEdit that has a label attached to it.
              • schrodinger.application.matsci.qualityslider.KeywordEdit: A swidgets.SLabeledEdit for displaying, editing and retrieving Jaguar keywords.
        • PyQt5.QtWidgets.QMainWindow: QMainWindow(parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = Qt.WindowFlags())
          • schrodinger.ui.qt.appframework.AppFramework: The AppFramework class is basically a hull for applications.
            • schrodinger.application.canvas.clustergui.ClusterStatisticsPlotDialog: A class which displays a dialog with a plot of the statistics for the most recent clustering
            • schrodinger.application.canvas.clustergui.DendrogramPlotDialog: A class which displays a dialog with a plot of the dendrogram from the most recent clustering
            • schrodinger.application.canvas.clustergui.DistanceMatrixPlotDialog: A class which displays a dialog with a plot of the distance matrix associated with the most recent clustering
            • schrodinger.application.bioluminate.protein_structure_quality.ProteinStructureQualityViewer: The Main Panel Class
            • schrodinger.ui.chooseligand.TestApp: Class for testing this module.
            • schrodinger.application.desmond.fep_gui._App: Class shared by Desmond and Mcpro applications
              • schrodinger.application.desmond.fep_gui.DesmondApp: Class shared by all Desmond panels.
              • schrodinger.application.desmond.fep_gui.McproApp: Class shared by all Mcpro panels
          • schrodinger.application.jaguar.gui.edit_dialog.EditDialog: A dialog that allows JaguarInput objects to be directly edited.
          • schrodinger.application.bioluminate.ssv.viewer.ViewerWindow: Provides the SimplifiedSequenceViewer with a window to occupy.
          • schrodinger.ui.sketcher.sketcher
        • PyQt5.QtWidgets.QMenu: QMenu(parent: QWidget = None) QMenu(str, parent: QWidget = None)
          • schrodinger.application.msv.gui.view.AbstractMsvContextMenu
            • schrodinger.application.msv.gui.view.DefaultContextMenu
            • schrodinger.application.msv.gui.view.EmbeddedMSVContextMenu
          • schrodinger.application.bioluminate.pml_menus.ColorByElementSubMenu: The Color by Element submenu
          • schrodinger.ui.qt.appframework.MonitorDropdown: A menu-derived object which exists solely as an adapter to allow the mini- monitor to be dropped out of the job status toolbutton.
          • schrodinger.application.bioluminate.pml_menus.PMLMenu: The base menu class we subclass from
            • schrodinger.application.bioluminate.pml_menus.ActionMenu: The Action menu
            • schrodinger.application.bioluminate.pml_menus.AroundExpandSubMenu: The modify-around submenu of the action menu
            • schrodinger.application.bioluminate.pml_menus.AsMenu: The Show->As submenu
            • schrodinger.application.bioluminate.pml_menus.AutoColorSubMenu: The Color menu
            • schrodinger.application.bioluminate.pml_menus.ColorChainSubMenu: The ColorChainSubMenu menu
            • schrodinger.application.bioluminate.pml_menus.ColorMenu: The Color menu
            • schrodinger.application.bioluminate.pml_menus.ColorSpectrumSubMenu: The ColorSpectrumSubMenu menu
            • schrodinger.application.bioluminate.pml_menus.ColorSubstructureSubMenu: The ColorSubstructureSubMenu menu
            • schrodinger.application.bioluminate.pml_menus.CompleteSubMenu: The modify-complete submenu of the action menu
            • schrodinger.application.bioluminate.pml_menus.ComputeSubMenu: The Action Compute submenu
            • schrodinger.application.bioluminate.pml_menus.EntrySubMenu: A submenu that lists all enabled Entry objects
            • schrodinger.application.bioluminate.pml_menus.ExcludeSubMenu: The modify-exclude submenu of the action menu
            • schrodinger.application.bioluminate.pml_menus.ExtendSubMenu: The modify-extend submenu of the action menu
            • schrodinger.application.bioluminate.pml_menus.FindPCSubMenu: The Find Polar Contacts submenu
            • schrodinger.application.bioluminate.pml_menus.GenSelectionSubMenu: The Action Generate Selection submenu
            • schrodinger.application.bioluminate.pml_menus.GenSymMatesSubMenu: The Action Generate Symmetry Mates submenu
            • schrodinger.application.bioluminate.pml_menus.GeneralContextSubMenu: The submenu that contains all the main actions used for most context menus
              • schrodinger.application.bioluminate.pml_menus.ObjectFreeContextSubMenu: The GeneralContextSubMenu for a right-click that is not on an object
              • schrodinger.application.bioluminate.pml_menus.SubstructureContextSubMenu: The GeneralContextSubMenu for a right-click that is on an atom
            • schrodinger.application.bioluminate.pml_menus.GenerateSubMenu: The Action Generate submenu
            • schrodinger.application.bioluminate.pml_menus.HideHydrogenSubMenu: The Hide Hydrogen submenu
            • schrodinger.application.bioluminate.pml_menus.HideMenu: The Hide menu
            • schrodinger.application.bioluminate.pml_menus.HydrogenSubMenu: The Action Hydrogen submenu
            • schrodinger.application.bioluminate.pml_menus.IncludeSubMenu: The modify-include submenu of the action menu
            • schrodinger.application.bioluminate.pml_menus.InvertSubMenu: The modify-invert submenu of the action menu
            • schrodinger.application.bioluminate.pml_menus.LabelAtomIdentSubMenu: The Label Atom Identifiers submenu
            • schrodinger.application.bioluminate.pml_menus.LabelMenu: The Label menu
            • schrodinger.application.bioluminate.pml_menus.LabelOtherSubMenu: The Label Other Properties submenu
            • schrodinger.application.bioluminate.pml_menus.LigandSitesSubMenu: The Action-Preset-Ligand Sites submenu
            • schrodinger.application.bioluminate.pml_menus.ModifySubMenu: The modify submenu of the action menu
            • schrodinger.application.bioluminate.pml_menus.PMLContextMenu: The base menu class we subclass from for context menus
              • schrodinger.application.bioluminate.pml_menus.AtomContextMenu: The context menu for right-clicks on non-selected atoms
              • schrodinger.application.bioluminate.pml_menus.SelectedAtomContextMenu: The context menu for right-clicks on selected atoms
              • schrodinger.application.bioluminate.pml_menus.SpaceContextMenu: The context menu for right-clicks in space
            • schrodinger.application.bioluminate.pml_menus.PolarContactsSubMenu: The Polar Contacts submenu
            • schrodinger.application.bioluminate.pml_menus.PresetSubMenu: The Preset submenu
            • schrodinger.application.bioluminate.pml_menus.RestrictSubMenu: The modify-restrict submenu of the action menu
            • schrodinger.application.bioluminate.pml_menus.SelectedAtomContextActionSubMenu: The submenu that allows the user to enable/disable individual objects
            • schrodinger.application.bioluminate.pml_menus.SelectionSubMenu: A submenu that lists all enabled Entry objects
            • schrodinger.application.bioluminate.pml_menus.ShowMenu: The Show menu
            • schrodinger.application.bioluminate.pml_menus.SurfaceAreaSubMenu: The Action Surface Area submenu
            • schrodinger.application.bioluminate.pml_menus.ToggleStateSubMenu: The submenu that allows the user to enable/disable individual objects
          • schrodinger.application.bioluminate.pml_menus.RecentColorSubMenu: A submenu that shows the most recently chosen colors - these color choices are updated each time the menu shows to reflect the most recently chosen colors at the top.
            • schrodinger.application.bioluminate.pml_menus.RecentCarbonColorSubMenu: A submenu that shows the most recently chosen carbon colors - these color choices are updated each time the menu shows to reflect the most recently chosen colors at the top.
            • schrodinger.application.bioluminate.pml_menus.RecentHydrogenColorSubMenu: A submenu that shows the most recently chosen hydrogen colors - these color choices are updated each time the menu shows to reflect the most recently chosen colors at the top.
            • schrodinger.application.bioluminate.pml_menus.RecentObjectColorSubMenu: A submenu that shows the most recently chosen object colors - these color choices are updated each time the menu shows to reflect the most recently chosen colors at the top.
          • schrodinger.application.bioluminate.pml_menus.ShowOrganicMenu: The Show->Organic submenus
          • schrodinger.application.bioluminate.pml_menus.ShowSubstructureMenu: The Show->substructure submenus
          • schrodinger.application.msv.gui.tab_widget.TabLabelContextMenu: Context menu for the tab label.
          • schrodinger.application.msv.gui.view.VHeaderContextMenu: Class for context menus in the info section of the view.
        • PyQt5.QtWidgets.QMenuBar: QMenuBar(parent: QWidget = None)
          • schrodinger.application.msv.gui.menu.MsvMenuBar
            • schrodinger.application.msv.gui.menu.MaestroMsvMenuBar
        • PyQt5.QtWidgets.QProgressBar: QProgressBar(parent: QWidget = None)
          • schrodinger.ui.qt.appframework.CustomProgressBar: Class for a custom progress bar (at the bottom of some panels).
        • PyQt5.QtWidgets.QTabWidget: QTabWidget(parent: QWidget = None)
          • schrodinger.application.msv.gui.tab_widget.MSVTabWidget: QTabWidget customized for MSV
        • PyQt5.QtWidgets.QToolBar: QToolBar(str, parent: QWidget = None) QToolBar(parent: QWidget = None)
          • schrodinger.application.bioluminate.ssv.toolbars.AntibodyNumberingToolBar: Get the toolbar that has the combobox with the antibody numering schemes.
          • schrodinger.application.bioluminate.ssv.toolbars.ConsensusToolBar: A toolbar associated with the viewer that will handle display options.
          • schrodinger.application.bioluminate.ssv.toolbars.FindToolBar: Create an instance of the "Find Pattern" toolbar from the MSV.
          • schrodinger.application.bioluminate.ssv.toolbars.ImportToolBar: Get the toolbar that has the import dialogs.
          • schrodinger.ui.sketcher.sketcherGUIMultiColumnToolBar
        • PyQt5.QtWebKitWidgets.QWebView: QWebView(parent: QWidget = None)
          • schrodinger.utils.welcome_dialog_dir.base_welcome.MyWebView
        • schrodinger.application.bioluminate.bwidgets.RowActionItem: Custom widget to be used in a table cell.
        • schrodinger.application.msv.gui.popup_dialogs.SideBySideToggle: A customized widget for switching between text options representing different values
        • schrodinger.application.bioluminate.antibody.search_results_table.SplitTable: A widget to contain both split search results tables (i.e.
        • schrodinger.application.combiglide.combenumdock.WidgetWithClosedSignal
        • schrodinger.application.desmond.fep_gui._DesmondProt: Frame for the second tab ("Plan Calculation") of the Desmond GUIs.
        • schrodinger.application.desmond.fep_gui._McproProt: Frame for the second tab ("Plan Calculation") of the Mcpro GUIs.
        • schrodinger.application.desmond.fep_gui._Pert: Frame for the bottom part of the "Plan Calculation" tab of Mcpro GUIs.
        • schrodinger.application.desmond.cwidget._SdDetailFrame: Frame for the section that gets shown when the "Detail" button is toggled on.
    • PyQt5.QtWidgets.QWidget.RenderFlags: QWidget.RenderFlags() QWidget.RenderFlags(Union[QWidget.RenderFlags, QWidget.RenderFlag]) QWidget.RenderFlags(QWidget.RenderFlags)
    • PyQt5.QtWidgets.QGraphicsScene.SceneLayers: QGraphicsScene.SceneLayers() QGraphicsScene.SceneLayers(Union[QGraphicsScene.SceneLayers, QGraphicsScene.SceneLayer]) QGraphicsScene.SceneLayers(QGraphicsScene.SceneLayers)
    • PyQt5.QtCore.QItemSelectionModel.SelectionFlags: QItemSelectionModel.SelectionFlags() QItemSelectionModel.SelectionFlags(Union[QItemSelectionModel.SelectionFlags, QItemSelectionModel.SelectionFlag]) QItemSelectionModel.SelectionFlags(QItemSelectionModel.SelectionFlags)
    • PyQt5.QtWidgets.QMessageBox.StandardButtons: QMessageBox.StandardButtons() QMessageBox.StandardButtons(Union[QMessageBox.StandardButtons, QMessageBox.StandardButton]) QMessageBox.StandardButtons(QMessageBox.StandardButtons)
    • PyQt5.QtWidgets.QAbstractSpinBox.StepEnabled: QAbstractSpinBox.StepEnabled() QAbstractSpinBox.StepEnabled(Union[QAbstractSpinBox.StepEnabled, QAbstractSpinBox.StepEnabledFlag]) QAbstractSpinBox.StepEnabled(QAbstractSpinBox.StepEnabled)
    • schrodinger.ui.maestro_ui.maestro
    • schrodinger.infra.projectmodel.schrodinger
    • sip.wrapper
      • schrodinger.infra._canvas2d.ChemViewAnnotator
        • schrodinger.application.combiglide.combenumdock.CgHydrogenFragmentAnnotator
        • schrodinger.application.desmond.fep_scholar_util.MappingAnnotator: This annotator allows to show atom numbers for a selected subset of atoms.
      • schrodinger.ui.maestro_ui.maestro.DateFormatter
      • schrodinger.ui.dendro.DendrogramGraphicTreeCoordinatesPreferences
      • schrodinger.ui.dendro.DendrogramNode
      • schrodinger.ui.dendro.DendrogramNodeBFIterator
      • schrodinger.ui.dendro.DendrogramTreeBuilder
      • schrodinger.ui.maestro_ui.MM_MaestroSettings
      • schrodinger.ui.maestro_ui.MM_UIAbstractPropertyManager
      • PyQt5.QtWidgets.QGraphicsItem: QGraphicsItem(parent: QGraphicsItem = None)
        • schrodinger.ui.dendro.DendrogramGraphicNodeLabel
        • PyQt5.QtWidgets.QGraphicsItemGroup: QGraphicsItemGroup(parent: QGraphicsItem = None)
          • schrodinger.ui.dendro.DendrogramGraphicTree
        • PyQt5.QtWidgets.QGraphicsObject: QGraphicsObject(parent: QGraphicsItem = None)
          • schrodinger.ui.dendro.DendrogramGraphicNode
        • schrodinger.application.combiglide.combenumdock._StructViewItem
        • schrodinger.application.combiglide.combenumdock._zoomViewItem
        • schrodinger.ui.sketcher.sketcherGraphicalObject
          • schrodinger.ui.sketcher.sketcherAtom
            • schrodinger.ui.sketcher.sketcherResidue
          • schrodinger.ui.sketcher.sketcherBond
            • schrodinger.ui.sketcher.sketcherResidueInteraction
        • schrodinger.ui.qt.structure2d.structure_item
          • schrodinger.application.desmond.fep_scholar_util.ScholarStructureItem: This class adds new function to the base structure_item class that allows to show some atoms and bonds with highlighting.
          • schrodinger.application.matsci.reordergui.StructurePic: The QGraphicsItem that holds a 2D image of a structure
      • PyQt5.QtCore.QObject: QObject(parent: QObject = None)
        • schrodinger.application.msv.io.structure_model.AbstractStructureModel: A StructureModel manages interaction between an alignment and a structural representation of the same collection of sequences.
          • schrodinger.application.msv.io.structure_model.MaestroStructureModel
        • schrodinger.application.desmond.gui.AdvOptionsFrame: Frame for the "Advanced Options" button.
        • schrodinger.application.msv.domain.alignment.BaseAlignment: Abstract base class for classes which handle alignment of various sequences and corresponding annotations.
          • schrodinger.application.msv.domain.alignment.ProteinAlignment
            • schrodinger.application.msv.gui.undoable_alignment.ProteinAlignment: A ProteinAlignment class that presents the same interface as a regular ProteinAlignment but optionally accomplishes mutating operations via a command stack.
        • schrodinger.application.combiglide.combenumdock.BaseInteractiveEnumeration: This is the main class for the panel, to show the panel simply create an instance of this class.
          • schrodinger.application.combiglide.combenumdock.InteractionEnumerationPanel: For opening the stand-alone panel.
          • schrodinger.application.combiglide.combenumdock.MaterialEnumerationDialog: Class for opening the Interactive Enumeratio panel as a dialog from Materials Science panels.
        • schrodinger.application.jaguar.gui.tabs.properties_tab.BaseSubTab: Base class for all properties tab subtabs.
          • schrodinger.application.jaguar.gui.tabs.properties_tab.ESPSubTab: This sub tab class is used for ESP property.
          • schrodinger.application.jaguar.gui.tabs.properties_tab.MullikenSubTab: This sub tab class is used for Mulliken property.
          • schrodinger.application.jaguar.gui.tabs.properties_tab.MultipoleSubTab: This sub tab class is used for Multipole property.
          • schrodinger.application.jaguar.gui.tabs.properties_tab.PolarizabilitySubTab: This sub tab class is used for Polarizability property.
          • schrodinger.application.jaguar.gui.tabs.properties_tab.RamanSubTab
          • schrodinger.application.jaguar.gui.tabs.properties_tab.SurfacesSubTab: This sub tab class is used for Surfaces property.
          • schrodinger.application.jaguar.gui.tabs.properties_tab.VibrationalSubTab: This sub tab class is used for Vibrational property.
        • schrodinger.application.combiglide.connection_storage.ConnectionStorage: This class is used to store the data of the current connection table.
          • schrodinger.application.combiglide.combenumdock.ConnectionStorage: This class is used to store the data of the current connection table.
        • schrodinger.application.jaguar.gui.tabs.coordinates.CoordinatePicker: This class is responsible for atom and bond picking.
        • schrodinger.ui.dendro.DendrogramGraphicTree
        • schrodinger.application.desmond.fep_scholar_util.FEPStructureObject: This class holds all information about each ligand.
        • schrodinger.tasks.jobtasks.JobStatusLoop
        • schrodinger.ui.maestro_ui.MM_HyperLinkProperty
        • schrodinger.infra.projectmodel.schrodinger.MM_Project
        • schrodinger.ui.maestro_ui.MM_UIBasic
          • schrodinger.ui.maestro_ui.MM_UIComponent
            • schrodinger.ui.maestro_ui.MM_UIForm
              • schrodinger.ui.maestro_ui.MM_UIVBoxLayout
                • schrodinger.ui.maestro_ui.MM_UIAbstractPropertySelector
                  • schrodinger.ui.maestro_ui.MM_UICompactPropertySelector
        • schrodinger.ui.maestro_ui.MaestroHub
        • schrodinger.tasks.parameters.Param: Base class for all Param classes.
          • schrodinger.tasks.parameters.BoolParam
          • schrodinger.tasks.parameters.CompoundParam: A collection of Params that itself is a Param.
            • schrodinger.tasks.jobtasks.JobConfig
            • schrodinger.tasks.jobtasks.JobOptions
            • schrodinger.tasks.parameters.ParamModel: Inherit all functionality of CompoundParam with name that designates this class as a model.
              • schrodinger.tasks.tasks.AbstractTask: WARNING: as descriptors, instances of this class will not behave normally if used as class variables.
                • schrodinger.tasks.jobtasks.AbstractJobTask
                  • schrodinger.tasks.jobtasks.CmdJobTask
                • schrodinger.tasks.tasks.BaseFunctionTask
                  • schrodinger.tasks.tasks.BlockingFunctionTask
                  • schrodinger.tasks.tasks.ThreadFunctionTask
          • schrodinger.tasks.parameters.DictParam
          • schrodinger.tasks.parameters.FloatParam
          • schrodinger.tasks.parameters.IntParam
          • schrodinger.tasks.parameters.ListParam
          • schrodinger.tasks.parameters.StringParam
        • schrodinger.application.bioluminate.patch_utils.patch_finder.PatchFinderRunner: An object used to run the PatchFinder analysis in a separate thread.
        • schrodinger.application.phase.hypothesis.PhaseHypothesisMonitor: This class provides signals that are emitted when hypothesis is changed.
        • schrodinger.application.phase.phase_markers.PhaseMarkers: Class for adding pharmacophore feature markers and controlling their visibility.
        • PyQt5.QtWidgets.QAbstractItemDelegate: QAbstractItemDelegate(parent: QObject = None)
          • PyQt5.QtWidgets.QItemDelegate: QItemDelegate(parent: QObject = None)
            • schrodinger.application.desmond.gui.AtomGroupDelegate: Class for allowing the data in the AtomGroupModel to be modified.
            • schrodinger.application.jaguar.gui.tabs.optimization_tab.ConstraintCoordinatesDelegate: This delegate is used to validate values entered in 'target value' column.
            • schrodinger.application.desmond.gui.PosResDelegate: Class for allowing the data in the PosResModel to be modified
            • schrodinger.application.jaguar.gui.tabs.scan_tab.ScanCoordinatesDelegate: This delegate is used to define how float coordinate values are displayed in a line edit widget.
            • schrodinger.application.desmond.gui.TempItemDelegate: Class for allowing the data in the TableModel to be modified.
            • schrodinger.ui.qt.structtable._GenericViewerDelegate: This is the class that handles the actual drawing of data.
              • schrodinger.ui.qt.structtable.StructureViewerDelegate
                • schrodinger.ui.qt.structtable.StructureReaderDelegate
                  • schrodinger.application.combiglide.combenumdock.createFragmentDelegate
                  • schrodinger.application.combiglide.combenumdock.simpleEnumDockDelegate
          • PyQt5.QtWidgets.QStyledItemDelegate: QStyledItemDelegate(parent: QObject = None)
            • schrodinger.application.msv.gui.delegates.AbstractBaseRowDelegate: Base delegate class.
              • schrodinger.application.msv.gui.delegates.AbstractSingleElementHeightDelegate: A delegate for rows that are SSA_ELEMENT_HEIGHT pixels high.
                • schrodinger.application.msv.gui.delegates.AbstractDoubleElementHeightDelegate: A delegate for rows that are double the height of a SingleElementHeightDelegate row.
                  • schrodinger.application.msv.gui.delegates.AbstractBarHeightDelegate: A BarHeightDelegate is responsible for displaying array-like model data as a series of scaled bars
                    • schrodinger.application.msv.gui.delegates.BarHeightDelegate
                    • schrodinger.application.msv.gui.delegates.BidirectionalBarDelegate: Delegate used for bar charts that represent positive and negative values.
                  • schrodinger.application.msv.gui.delegates.SequenceLogoDelegate: This delegate is used to draw scaled residue 1-letter code at each alignment position.
                • schrodinger.application.msv.gui.delegates.SecondaryStructureDelegate
              • schrodinger.application.msv.gui.delegates.AlignmentInfoDelegate: This is a delegate class that paints alignment info (e.g.
              • schrodinger.application.msv.gui.delegates.ColorBlockRowDelegate
              • schrodinger.application.msv.gui.delegates.ResidueDelegate
              • schrodinger.application.msv.gui.delegates.RulerDelegate: A delegate to draw the ruler, which counts by 5.
              • schrodinger.application.msv.gui.delegates.SpaceRowDelegate: A simple delegate to manage rows of empty space
              • schrodinger.application.msv.gui.delegates.StandardDelegate
            • schrodinger.application.jaguar.gui.input_tab_widgets.CommitMultipleDelegate: A delegate where Ctrl+Enter will cause the value to be committed to all selected rows.
              • schrodinger.application.jaguar.gui.input_tab_widgets_pka.AtomSelectionDelegate: A delegate for selecting a pKa atom.
                • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.charge_constraints_widgets.AtomSelectionDelegate: A delegate for selecting atoms for the charge constraint.
              • schrodinger.application.jaguar.gui.input_tab_widgets.BlankableSpinBoxDelegate: A spin box delegate.
            • schrodinger.ui.qt.delegates.DefaultMessageDelegate: A delegate that displays a default "Double-click to edit" message when there is no data to display.
              • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.basis_set_widgets.AtomBasisSetDelegate: A delegate for selecting per-atom basis sets
              • schrodinger.application.jaguar.gui.input_tab_widgets_pka.AtomSelectionDelegate: A delegate for selecting a pKa atom.
                • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.charge_constraints_widgets.AtomSelectionDelegate: A delegate for selecting atoms for the charge constraint.
            • schrodinger.ui.qt.pop_up_widgets.PopUpDelegate: A table delegate that uses a LineEditWithPopUp as an editor.
              • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.basis_set_widgets.AtomBasisSetDelegate: A delegate for selecting per-atom basis sets
              • schrodinger.application.jaguar.gui.input_tab_widgets.BasisSetDelegate: A delegate for selecting a basis set using a BasisSelectorLineEdit.
              • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.charge_constraints_widgets.ChargeSelectorDelegate: A delegate for selecting charge constraint atom weights.
            • schrodinger.ui.qt.table_speed_up.SpeedUpDelegate: A delegate that speeds up painting by:
              • schrodinger.application.msv.gui.delegates.AlignmentInfoDelegate: This is a delegate class that paints alignment info (e.g.
              • schrodinger.application.msv.gui.delegates.DispatchDelegate: A delegate that acts as one of the above delegates depending on an index's RowType data.
        • PyQt5.QtCore.QAbstractItemModel: QAbstractItemModel(parent: QObject = None)
          • PyQt5.QtCore.QAbstractListModel: QAbstractListModel(parent: QObject = None)
            • schrodinger.application.bioluminate.propfilter.CriteriaListModel: Class for storing the criteria list information.
            • schrodinger.ui.ligfilter.CriteriaListModel: Class for storing the criteria list information.
          • PyQt5.QtCore.QAbstractProxyModel: QAbstractProxyModel(parent: QObject = None)
            • schrodinger.application.msv.gui.viewmodel.NestedProxy: A base class for proxy models that contain one level of nesting.
              • schrodinger.application.msv.gui.viewmodel.AnnotationProxyModel: A proxy model that creates children rows for currently displayed annotations and adds a spacer row in between sequences.
              • schrodinger.application.msv.gui.viewmodel.BaseAdjacentAlignmentProxyModel: A base proxy model to be subclassed by other proxy models that show data related to and synchronized with an alignment but in separate, adjacent views.
                • schrodinger.application.msv.gui.viewmodel.AlignmentInclusionProxyModel: A proxy model that contains sequence inclusion for an alignment along with sequence title and chain information.
                • schrodinger.application.msv.gui.viewmodel.AlignmentMetricsProxyModel: A proxy model that contains the alignment metrics, such as percentage of identity, similarity, homology and score to the reference sequence.
              • schrodinger.application.msv.gui.viewmodel.RowWrapProxyModel: A proxy model that wraps rows to a specified column count.
            • schrodinger.application.msv.gui.viewmodel.NonNestedProxy: A base class for proxy models that don't contain any nesting (i.e.
              • schrodinger.application.msv.gui.viewmodel.ReorderingProxyModel: A proxy for reordering rows in response to either sorting or drag and drop actions.
            • PyQt5.QtCore.QIdentityProxyModel: QIdentityProxyModel(parent: QObject = None)
              • schrodinger.application.msv.gui.viewmodel.ExportProxyModel: A proxy for use when generating a static image of the table.
              • schrodinger.application.msv.gui.viewmodel._ToggleProxyModel: A model that can be toggled between row wrapping (by setting the source to a RowWrapProxyModel) and non-row-wrapping (by setting the source to an AnnotationFilterProxyModel).
                • schrodinger.application.msv.gui.viewmodel.ToggleProxyModelCachingLayer
            • PyQt5.QtCore.QSortFilterProxyModel: QSortFilterProxyModel(parent: QObject = None)
              • schrodinger.application.msv.gui.viewmodel.AlignmentMetricsFilterProxy: A filter proxy that displays or hides alignment metric columns.
              • schrodinger.application.jaguar.gui.tabs.optimization_tab.ConstraintCoordinatesProxyModel: A proxy model that allows to hide columns.
              • schrodinger.application.bioluminate.antibody.search_results_table.FullProxyModel: A proxy model for the full search results.
                • schrodinger.application.bioluminate.antibody.search_results_table.SplitProxyModel: A proxy for the split search results (i.e.
              • schrodinger.ui.qt.table_helper.PythonSortProxyModel: A sorting proxy model that uses Python (rather than C++) to compare values.
                • schrodinger.application.jaguar.gui.input_tab_widgets.InputEntriesProxyModel: The proxy model for sorting the input entries table
              • schrodinger.application.jaguar.gui.tabs.scan_tab.ScanCoordinatesProxyModel: A proxy model that allows to hide columns.
              • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.base_widgets.SubTabProxyModel: A proxy model that filters out rows related to entry ids that are no longer selected in the project table.
                • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.basis_set_widgets.BasisSetProxyModel
          • PyQt5.QtCore.QAbstractTableModel: QAbstractTableModel(parent: QObject = None)
            • schrodinger.application.desmond.gui.AtomGroupModel: Class for storing the window table information.
            • schrodinger.ui.chooseligand.ChooseLigandModel
            • schrodinger.application.jaguar.gui.tabs.coordinates.CoordinatesModel: A base class for cordinates models used for constraint and scan coordinates in Scan and Optimization tabs.
              • schrodinger.application.jaguar.gui.tabs.optimization_tab.ConstraintCoordinatesModel: A model to store scan tab coordinates data.
              • schrodinger.application.jaguar.gui.tabs.scan_tab.ScanCoordinatesModel: A model to store scan tab coordinates data.
            • schrodinger.application.bioluminate.protein_report_widget.DataModel: Class for storing the table information.
              • schrodinger.application.bioluminate.protein_structure_quality.DataModelWithChart: A subclass of DataModel that calls a sort callback when sorting
            • schrodinger.application.bioluminate.antibody.search_results_table.FrameworkModel: A model to store search results
            • schrodinger.application.jaguar.gui.input_tab_widgets.InputEntriesModel: The data model for the input entries table
              • schrodinger.application.jaguar.gui.input_tab_widgets_hb.InputEntriesModelHB: The data model for the HB input entries table.
              • schrodinger.application.jaguar.gui.input_tab_widgets_pka.InputEntriesModelPka: The data model for the pKa selected entries table
            • schrodinger.application.desmond.fep_gui.PathModel: Class for storing table information.
            • schrodinger.ui.ligfilter.PatternModel: Class for strring patterns (definitions) and their groups
            • schrodinger.application.desmond.gui.PosResModel: Class for storing the window table information.
            • schrodinger.application.desmond.fep_gui.ResiduesModel: Class for storing the residues table information.
            • schrodinger.ui.qt.table_helper.RowBasedTableModel: A table model where data is organized in rows.
              • schrodinger.application.phase.featureselector.FeatureModel: Features model.
              • schrodinger.application.phase.phase_widgets.HypothesisModel: Hypotheses Model.
              • schrodinger.ui.qt.table_helper.RowBasedListModel: A model class for use with QtWidgets.QListView views.
                • schrodinger.ui.picking.MaestrolessLigandListModel: Model for ligand lists that can be used outside of Maestro.
              • schrodinger.application.msv.gui.viewmodel.SequenceAlignmentModel: A QTable model where each row corresponds to a sequence and each column corresponds to a residue position
              • schrodinger.ui.picking._BaseMaestrolessPickModel: Base model class for tables to enable picking structures outside of Maestro.
                • schrodinger.ui.picking.PickResidueModel: Model for tables to allow picking residues from a structure outside of Maestro.
            • schrodinger.application.desmond.fep_gui.StrucListModel: Class for storing table information.
            • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.base_widgets.SubTabModel: A table model for storing sub-tab data.
              • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.basis_set_widgets.BasisSetModel
              • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.charge_constraints_widgets.ChargeConstraintsModel
            • schrodinger.application.desmond.gui.TableModel: Class for storing the window table information.
            • schrodinger.ui.qt.table.ViewerModel
              • schrodinger.ui.qt.structtable.ViewerModel: This class has been moved to the new table module
                • schrodinger.application.combiglide.combenumdock.collectionViewerModel
          • PyQt5.QtGui.QStandardItemModel: QStandardItemModel(parent: QObject = None) QStandardItemModel(int, int, parent: QObject = None)
            • schrodinger.infra.projectmodel.schrodinger.RowModel
        • PyQt5.QtWidgets.QAction: QAction(QObject) QAction(str, QObject) QAction(QIcon, str, QObject)
          • schrodinger.application.bioluminate.pml_menus.MAction: A QAction that performs a Maestro command
            • schrodinger.application.bioluminate.pml_menus.AddHydrogens
            • schrodinger.application.bioluminate.pml_menus.AutoColorObjects
              • schrodinger.application.bioluminate.pml_menus.AutoColorCarbons
            • schrodinger.application.bioluminate.pml_menus.AutoCycleColor
              • schrodinger.application.bioluminate.pml_menus.AutoCycleCarbonColor
            • schrodinger.application.bioluminate.pml_menus.Center
            • schrodinger.application.bioluminate.pml_menus.Clean
            • schrodinger.application.bioluminate.pml_menus.ColorAtomsByBFactor
              • schrodinger.application.bioluminate.pml_menus.ColorCalphasByBFactor
            • schrodinger.application.bioluminate.pml_menus.ColorAtomsBySpectrum
              • schrodinger.application.bioluminate.pml_menus.ColorCalphasBySpectrum
              • schrodinger.application.bioluminate.pml_menus.ColorCarbonsBySpectrum
            • schrodinger.application.bioluminate.pml_menus.ColorChainbows
            • schrodinger.application.bioluminate.pml_menus.ColorChains
              • schrodinger.application.bioluminate.pml_menus.ColorChainsByCalpha
              • schrodinger.application.bioluminate.pml_menus.ColorChainsByCarbon
            • schrodinger.application.bioluminate.pml_menus.ColorHNOS
            • schrodinger.application.bioluminate.pml_menus.ComputeSurfaceArea
            • schrodinger.application.bioluminate.pml_menus.CountAtoms
            • schrodinger.application.bioluminate.pml_menus.CreateEntry
            • schrodinger.application.bioluminate.pml_menus.CustomColor
              • schrodinger.application.bioluminate.pml_menus.ColorCarbons
              • schrodinger.application.bioluminate.pml_menus.ColorHydrogens
              • schrodinger.application.bioluminate.pml_menus.ColorObject
            • schrodinger.application.bioluminate.pml_menus.DeleteAll
            • schrodinger.application.bioluminate.pml_menus.DeleteAtoms
            • schrodinger.application.bioluminate.pml_menus.DeleteProject
            • schrodinger.application.bioluminate.pml_menus.DeleteSelections
            • schrodinger.application.bioluminate.pml_menus.DeleteWS
            • schrodinger.application.bioluminate.pml_menus.Disable
            • schrodinger.application.bioluminate.pml_menus.Duplicate
            • schrodinger.application.bioluminate.pml_menus.ExcludeInorganicFromSelection
            • schrodinger.application.bioluminate.pml_menus.ExcludeOrganicFromSelection
            • schrodinger.application.bioluminate.pml_menus.ExcludePolymerFromSelection
            • schrodinger.application.bioluminate.pml_menus.ExcludeSolventFromSelection
            • schrodinger.application.bioluminate.pml_menus.ExcludeVisibleFromSelection
            • schrodinger.application.bioluminate.pml_menus.Expand: Expand the selection to the atoms around the ASL for this object
              • schrodinger.application.bioluminate.pml_menus.Around
            • schrodinger.application.bioluminate.pml_menus.Extend: Expand the selection to the atoms within X bonds of the ASL for this object
            • schrodinger.application.bioluminate.pml_menus.GenerateSelection: Select the atoms, then generate a selection object from them
              • schrodinger.application.bioluminate.pml_menus.GenerateInterfaceSelection
              • schrodinger.application.bioluminate.pml_menus.GenerateLigandSelection
              • schrodinger.application.bioluminate.pml_menus.GenerateSurfResSelection
            • schrodinger.application.bioluminate.pml_menus.GenerateSymmetryMates: Generate all the symmetry mates and show those within X angstroms
            • schrodinger.application.bioluminate.pml_menus.HideAllOthers
            • schrodinger.application.bioluminate.pml_menus.HideAtoms
            • schrodinger.application.bioluminate.pml_menus.HideEverything
            • schrodinger.application.bioluminate.pml_menus.HideHydrogens
            • schrodinger.application.bioluminate.pml_menus.HideLabel
            • schrodinger.application.bioluminate.pml_menus.HideMainChain
            • schrodinger.application.bioluminate.pml_menus.HideNonBonded
            • schrodinger.application.bioluminate.pml_menus.HidePolarHydrogens
            • schrodinger.application.bioluminate.pml_menus.HideRibbons
            • schrodinger.application.bioluminate.pml_menus.HideSideChain
            • schrodinger.application.bioluminate.pml_menus.HideSurface
            • schrodinger.application.bioluminate.pml_menus.HideSymmetryMates
            • schrodinger.application.bioluminate.pml_menus.HideWaters
            • schrodinger.application.bioluminate.pml_menus.IncludeVisibleInSelection
            • schrodinger.application.bioluminate.pml_menus.InvertCompleteSelection: Invert or complete the selection within an object
              • schrodinger.application.bioluminate.pml_menus.SelectWithinAny
              • schrodinger.application.bioluminate.pml_menus.SelectWithinCalpha
              • schrodinger.application.bioluminate.pml_menus.SelectWithinChain
              • schrodinger.application.bioluminate.pml_menus.SelectWithinEntry
              • schrodinger.application.bioluminate.pml_menus.SelectWithinMolecule
              • schrodinger.application.bioluminate.pml_menus.SelectWithinResidue
            • schrodinger.application.bioluminate.pml_menus.LabelAtom: A QAction that performs labels atoms with the given label
            • schrodinger.application.bioluminate.pml_menus.LabelAtomByProp: Labels all atoms by a custom atom property
              • schrodinger.application.bioluminate.pml_menus.LabelAtomByEntryIndex
              • schrodinger.application.bioluminate.pml_menus.LabelAtomByMolIndex
              • schrodinger.application.bioluminate.pml_menus.LabelAtomByNumType
              • schrodinger.application.bioluminate.pml_menus.LabelAtomByOccupancy
              • schrodinger.application.bioluminate.pml_menus.LabelAtomByVDW
            • schrodinger.application.bioluminate.pml_menus.LabelAtomByStereo
            • schrodinger.application.bioluminate.pml_menus.LabelChains
            • schrodinger.application.bioluminate.pml_menus.LabelResidues
            • schrodinger.application.bioluminate.pml_menus.MakeProjectEntry: Copies the atoms into a new project entry and includes it in the workspace
            • schrodinger.application.bioluminate.pml_menus.Orient
            • schrodinger.application.bioluminate.pml_menus.Origin
            • schrodinger.application.bioluminate.pml_menus.PolarContactsObject
            • schrodinger.application.bioluminate.pml_menus.PolarContactsOnlyMainchain
            • schrodinger.application.bioluminate.pml_menus.PolarContactsOnlySidechain
            • schrodinger.application.bioluminate.pml_menus.PolarContactsToAnyAtoms
            • schrodinger.application.bioluminate.pml_menus.PolarContactsToAnyNonSolvent
            • schrodinger.application.bioluminate.pml_menus.PolarContactsToEntry
            • schrodinger.application.bioluminate.pml_menus.PolarContactsToEntryWithoutSolvent
            • schrodinger.application.bioluminate.pml_menus.PolarContactsWithSidechains
            • schrodinger.application.bioluminate.pml_menus.PolarContactsWithSolvent
            • schrodinger.application.bioluminate.pml_menus.PolarContactsWithoutIntraMainchain
            • schrodinger.application.bioluminate.pml_menus.PolarContactsWithoutMainchain
            • schrodinger.application.bioluminate.pml_menus.PolarContactsWithoutSolvent
            • schrodinger.application.bioluminate.pml_menus.PresetAction: Base class for Preset Actions
              • schrodinger.application.bioluminate.pml_menus.AntibodyPreset
              • schrodinger.application.bioluminate.pml_menus.BAndSPreset
              • schrodinger.application.bioluminate.pml_menus.BFactorPreset
              • schrodinger.application.bioluminate.pml_menus.DefaultPreset
              • schrodinger.application.bioluminate.pml_menus.InterfacePreset
              • schrodinger.application.bioluminate.pml_menus.LigandPreset
              • schrodinger.application.bioluminate.pml_menus.PrettyPubPreset: Show the object as nice-looking cartoon ribbons
              • schrodinger.application.bioluminate.pml_menus.SimplePreset
              • schrodinger.application.bioluminate.pml_menus.TechnicalPreset
            • schrodinger.application.bioluminate.pml_menus.Quit
            • schrodinger.application.bioluminate.pml_menus.Ray: Use PyMOL to make a ray-traced image
            • schrodinger.application.bioluminate.pml_menus.Reinitialize
            • schrodinger.application.bioluminate.pml_menus.RemoveHydrogens
            • schrodinger.application.bioluminate.pml_menus.RemovePC
            • schrodinger.application.bioluminate.pml_menus.RemoveWaters
            • schrodinger.application.bioluminate.pml_menus.Rename
            • schrodinger.application.bioluminate.pml_menus.RestrictSelection: Restrict the selection to a specific object
              • schrodinger.application.bioluminate.pml_menus.ExcludeFromSelection
              • schrodinger.application.bioluminate.pml_menus.IncludeInSelection: Include a specific object in the selection
            • schrodinger.application.bioluminate.pml_menus.RestrictToInorganic
            • schrodinger.application.bioluminate.pml_menus.RestrictToOrganic
            • schrodinger.application.bioluminate.pml_menus.RestrictToPolymer
            • schrodinger.application.bioluminate.pml_menus.RestrictToSolvent
            • schrodinger.application.bioluminate.pml_menus.RestrictToVisible
            • schrodinger.application.bioluminate.pml_menus.Select
            • schrodinger.application.bioluminate.pml_menus.ShowBAndS
            • schrodinger.application.bioluminate.pml_menus.ShowCartoonOrRibbon
              • schrodinger.application.bioluminate.pml_menus.ShowCartoon
              • schrodinger.application.bioluminate.pml_menus.ShowRibbon
            • schrodinger.application.bioluminate.pml_menus.ShowLabel
            • schrodinger.application.bioluminate.pml_menus.ShowLines
              • schrodinger.application.bioluminate.pml_menus.ShowLigandLines
            • schrodinger.application.bioluminate.pml_menus.ShowNonBonded
              • schrodinger.application.bioluminate.pml_menus.ShowNonBondedSpheres
            • schrodinger.application.bioluminate.pml_menus.ShowSpheres
              • schrodinger.application.bioluminate.pml_menus.ShowLigandSpheres
            • schrodinger.application.bioluminate.pml_menus.ShowTubes
              • schrodinger.application.bioluminate.pml_menus.ShowLigandTubes
            • schrodinger.application.bioluminate.pml_menus.SumFormalCharge
            • schrodinger.application.bioluminate.pml_menus.SumPartialCharge
            • schrodinger.application.bioluminate.pml_menus.SurfaceRender: Base class for actions that render a surface
              • schrodinger.application.bioluminate.pml_menus.ShowMesh
              • schrodinger.application.bioluminate.pml_menus.ShowSurface
            • schrodinger.application.bioluminate.pml_menus.ToggleState: A MAction that toggles the enabled/disabled state of an object
            • schrodinger.application.bioluminate.pml_menus.Zoom
          • schrodinger.application.msv.gui.menu.MenuAction
            • schrodinger.application.msv.gui.menu.SortMenuAction: A menu action that changes the table sorting.
          • PyQt5.QtWidgets.QWidgetAction: QWidgetAction(QObject)
            • schrodinger.application.bioluminate.pml_menus.MWidgetAction: A QAction that performs a Maestro command
              • schrodinger.application.bioluminate.pml_menus.ColorBySubstructure
              • unreachable.CustomRecentColor
                • schrodinger.application.bioluminate.pml_menus.ColorRecentCarbons
                • schrodinger.application.bioluminate.pml_menus.ColorRecentHydrogens
                • schrodinger.application.bioluminate.pml_menus.ColorRecentObjects
              • schrodinger.application.bioluminate.pml_menus.CustomRecentColor
          • schrodinger.application.bioluminate.actions.factory.SAction: A QAction that enforces standards that are expected by some BioLuminate methods.
        • PyQt5.QtWidgets.QGraphicsObject: QGraphicsObject(parent: QGraphicsItem = None)
          • schrodinger.ui.dendro.DendrogramGraphicNode
        • PyQt5.QtWidgets.QGraphicsScene: QGraphicsScene(parent: QObject = None) QGraphicsScene(QRectF, parent: QObject = None) QGraphicsScene(float, float, float, float, parent: QObject = None)
          • schrodinger.ui.dendro.DendrogramScene
          • schrodinger.ui.sketcher.sketcherScene
        • PyQt5.QtCore.QItemSelectionModel: QItemSelectionModel(model: QAbstractItemModel = None) QItemSelectionModel(QAbstractItemModel, QObject)
          • schrodinger.application.msv.gui.view.AlignmentSelectionModel
        • PyQt5.QtGui.QMovie: QMovie(parent: QObject = None) QMovie(QIODevice, format: Union[QByteArray, bytes, bytearray] = QByteArray(), parent: QObject = None) QMovie(str, format: Union[QByteArray, bytes, bytearray] = QByteArray(), parent: QObject = None)
          • schrodinger.application.bioluminate.bwidgets.LoadingIcon: Animates a "loading" icon that can be used by any Qt object that has the C{setIcon} method.
        • PyQt5.QtGui.QValidator: QValidator(parent: QObject = None)
          • schrodinger.application.matsci.atomicsymbolsgui.ElementValidator: A QValidator to check if the input is a partial or valid atomic symbol.
          • PyQt5.QtGui.QIntValidator: QIntValidator(parent: QObject = None) QIntValidator(int, int, parent: QObject = None)
            • schrodinger.application.desmond.cwidget.CpuValidator
          • schrodinger.application.matsci.smartsutilsgui.SMARTSNameValidator: Ensures that the line edit contains only valid SMARTS name characters
          • schrodinger.application.jaguar.gui.basis_selector.UpperCaseValidator: A QValidator that converts all input to uppercase
        • PyQt5.QtWidgets.QWidget: QWidget(parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = Qt.WindowFlags())
          • schrodinger.application.msv.gui.msv_widget.AbstractMsvWidget
            • schrodinger.application.msv.gui.msv_widget.ProteinAlignmentMsvWidget
          • schrodinger.application.prime.gui.analyze_energy.AnalyzeEnergyWidget
          • schrodinger.ui.qt.appframework2.baseapp.BasePanel
            • schrodinger.ui.qt.appframework2.baseapp.ValidatedPanel
              • schrodinger.ui.qt.appframework2.af2.App
                • schrodinger.utils.welcome_dialog_dir.base_welcome.BaseWelcome
                  • schrodinger.utils.welcome_dialog.WelcomeDialog
                • schrodinger.ui.qt.appframework2.af2.JobApp
                  • schrodinger.application.jaguar.gui.base_panel.BaseJaguarPanel: A base class for all Jaguar GUIs.
                    • schrodinger.application.jaguar.gui.base_panel.StandardPanel: A convenience class for standard Jaguar panels that:
                    • schrodinger.application.jaguar.gui.base_panel.StandardPanelNoInputTab: A convenience class for standard Jaguar panels that use a "Molecule" tab (with a basis selector) in place of an "Input" tab.
                      • schrodinger.application.jaguar.gui.base_panel.MultiStructurePanel: A convenience class for standard Jaguar panels that use a MultiStructureTab.
                  • schrodinger.application.desmond.gui.GuiApp: Base class of several Desmond panel GUI's (see its subclasses below).
                  • schrodinger.application.matsci.guibase.MultiJobApp: Subclass of AF2 JobApp that allows launching multiple simultanious jobs.
                    • schrodinger.application.matsci.guibase.MultiDesmondJobApp: Class with functionality for setting up, validating and running multiple Desmond jobs.
                  • schrodinger.application.matsci.reordergui.ReorderAtomPanel: A simple panel that takes two selected entries and allows one of them to be reordered - this is mainly for testing and example purposes.
                • schrodinger.application.msv.gui.msv_gui.MSVPanel
              • schrodinger.ui.qt.appframework2.settings.BaseOptionsPanel: A base class for options dialogs that report all settings via a dictionary.
                • schrodinger.application.prime.gui.analyze_energy.AnalyzeEnergyOptions
          • schrodinger.application.jaguar.gui.tabs.input_sub_tabs.base_sub_tab.BaseSubTab: A base-class for all Input tab sub-tabs.
            • schrodinger.application.jaguar.gui.tabs.input_sub_tabs.basis_set.BasisSetSubTab: An Input tab sub-tab for per-atom basis sets
            • schrodinger.application.jaguar.gui.tabs.input_sub_tabs.charge_constraints.ChargeConstraintsSubTab: An Input tab sub-tab for charge constraints.
          • schrodinger.application.jaguar.gui.tabs.base_tab.BaseTab: The base class for all Jaguar tabs.
            • schrodinger.application.jaguar.gui.tabs.coordinates.CoordinateTab: A parent class for the Scan and Optimization tabs
              • schrodinger.application.jaguar.gui.tabs.optimization_tab.OptimizationTab
              • schrodinger.application.jaguar.gui.tabs.scan_tab.ScanTab
                • schrodinger.application.jaguar.gui.tabs.scan_tab.ScanTabNextGeom: A scan tab that allows the user to configure how the determine the next initial geometry
            • schrodinger.application.jaguar.gui.tabs.input_tab.InputTabBase: A tab for specifying settings for the structures currently selected in the project table.
              • schrodinger.application.jaguar.gui.tabs.input_tab.InputTab: An input tab that allows the user to specify basis sets.
                • schrodinger.application.jaguar.gui.tabs.input_tab.InputTabWithSubTabs: An Input tab with sub-tabs on the bottom.
              • schrodinger.application.jaguar.gui.tabs.input_tab.InputTabHB: An input tab that is used with Hydrogen Bond task.
              • schrodinger.application.jaguar.gui.tabs.input_tab.InputTabPka: An input tab that allows the user to specify pKa atoms.
            • schrodinger.application.jaguar.gui.tabs.molecule_tab.MoleculeTabBase: The base class for all molecule tabs.
              • schrodinger.application.jaguar.gui.tabs.molecule_tab.MoleculeTab: The standard molecule tab
                • schrodinger.application.jaguar.gui.tabs.molecule_tab.MoleculeTabNoInputSelector: A Molecule tab that does not use the input selector
              • schrodinger.application.jaguar.gui.tabs.molecule_tab.MoleculeTabPka: The molecule tab used in the PKA panel
            • schrodinger.application.jaguar.gui.tabs.multi_structure_tab.MultiStructureTab: A parent class for tabs that allow transition state, reactant, and product structures to be selected.
              • schrodinger.application.jaguar.gui.tabs.irc_tab.IrcTab
              • schrodinger.application.jaguar.gui.tabs.transition_state_tab.TransitionStateTab
            • schrodinger.application.jaguar.gui.tabs.output_tab.OutputTab: Output tab for the Jaguar panels.
            • schrodinger.application.jaguar.gui.tabs.properties_tab.PropertiesTabBase
              • schrodinger.application.jaguar.gui.tabs.properties_tab.PropertiesTab
              • schrodinger.application.jaguar.gui.tabs.properties_tab.PropertiesTabIGO
            • schrodinger.application.jaguar.gui.tabs.reaction_molecules_tab.ReactionMoleculesTab: " The Molecules tab used in the Reactions panel.
            • schrodinger.application.jaguar.gui.tabs.reaction_properties_tab.ReactionPropertiesTab
            • schrodinger.application.jaguar.gui.tabs.reaction_tab.ReactionTab
            • schrodinger.application.jaguar.gui.tabs.scf_tab.ScfTab: This is the basic SCF tab that is used for majority of tasks.
              • schrodinger.application.jaguar.gui.tabs.scf_tab.ScfTabConsistentOrbitals: This tab is used for SPE and Optimizations tasks and includes the "Use consistent orbital sets when all input structures are isomers" check box
              • schrodinger.application.jaguar.gui.tabs.scf_tab.ScfTabIGO: This tab is used for 'Initial Guess Only' task.
            • schrodinger.application.jaguar.gui.tabs.solvation_tab.SolventTab: The Solvent tab that contains only solvent model widgets.
              • schrodinger.application.jaguar.gui.tabs.solvation_tab.SolvationTab: The Solvation tab, which includes solvent model and gas-phase reference energy
                • schrodinger.application.matsci.mswidgets.EmbeddedSolventWidget: A master widget that contains the widgets from the Jaguar Solvation tab and is convenient to use outside the Jaguar gui environment.
                • schrodinger.application.jaguar.gui.tabs.solvation_tab.SolvationTabNoOptimized: A solvation tab that doesn't allow "Optimized gas-phase structure".
              • schrodinger.application.jaguar.gui.tabs.solvation_tab.SolventPkaTab: The Solvent tab for the Pka panel.
            • schrodinger.application.jaguar.gui.tabs.theory_tab.TheoryTab: A tab for selecting the level of theory.
              • schrodinger.application.jaguar.gui.tabs.theory_tab.TheoryTabNoSoZora: A theory tab that removes the Spin-orbit ZORA option.
                • schrodinger.application.jaguar.gui.tabs.theory_tab.TheoryTabOptimization: This tab is used for 'Optimization' task.
              • schrodinger.application.jaguar.gui.tabs.theory_tab.TheoryTabWithSoZora: A theory tab that includes Spin-orbit ZORA option.
          • schrodinger.application.msv.gui.popup_dialogs.ColorCircleToggleGroupWidget: A widget that contains a text label and a number of colored circle toggles.
          • schrodinger.application.msv.gui.color_editor.ColorEditor: An editor for developing new color themes for MSV.
          • schrodinger.application.jaguar.gui.tabs.theory_tab.ComboRadioSelector: This is compound widget for selecting categorized choices.
            • schrodinger.application.jaguar.gui.tabs.theory_tab.DFTComboRadioSelector: Customized ComboRadioSelector which adds on the radio button for enabling and disabling the combobox and radio buttons.
          • schrodinger.application.desmond.cwidget.EntryField: A special composite widget which contains a labeled line edit field.
          • schrodinger.application.desmond.cwidget.FileEntry: Class combining a QLabel, QLineEdit, and a QPushButton (Browse...).
          • schrodinger.application.bioluminate.antibody.search_results_table.FullTable: A widget to contain the full search results table
          • schrodinger.application.desmond.fep_gui.HelpLabel: A special composite widget which contains 2 help labels.
          • schrodinger.application.phase.phase_widgets.HypothesesListWidget: Widget that shows list of Project Table hypotheses.
          • schrodinger.application.bioluminate.bwidgets.ImportWidget
          • schrodinger.ui.ligfilter.LigfilterFrame: Frame for setting up Ligfilter jobs, including property/SMARTS criteria and new definitions.
          • schrodinger.ui.qt.propertyselector.MyWindow
          • PyQt5.QtWidgets.QAbstractButton: QAbstractButton(parent: QWidget = None)
            • PyQt5.QtWidgets.QCheckBox: QCheckBox(parent: QWidget = None) QCheckBox(str, parent: QWidget = None)
              • schrodinger.application.msv.gui.popup_dialogs.IconLabelToggle: Customized checkbox with an image icon on the left, which changes upon clicking.
              • schrodinger.application.desmond.fep_gui.PickAtomToggle: Pick atom widget with a precommand feature.
              • schrodinger.application.desmond.fep_gui.PickBondToggle: Pick bond widget with a precommand feature.
              • schrodinger.ui.qt.swidgets.SCheckBox: A QCheckBox that accepts the command callback for the clicked() signal as an argument
                • schrodinger.ui.qt.swidgets.SCheckBoxWithSubWidget: This creates a checkbox that controls the enabled/disabled state of a subwidget.
                  • schrodinger.application.matsci.clusterstructgui.MonomerSpeciesSelector: Checkbox and combo that allows the user to select a species.
                    • schrodinger.application.matsci.clusterstructgui.DimerSpeciesSelector: Checkbox and combo that allows the user to select a species for the purpose of selecting dimers with or without the given species.
                  • schrodinger.application.matsci.mswidgets.SaveDesmondFilesWidget: Standardized checkbox with combo to provide options for saving intermediate Desmond job files.
              • schrodinger.application.jaguar.gui.utils.WorkspaceInclusionCheckBox: A checkbox that is skinned to look like the Project Table workspace inclusion checkbox.
            • PyQt5.QtWidgets.QPushButton: QPushButton(parent: QWidget = None) QPushButton(str, parent: QWidget = None) QPushButton(QIcon, str, parent: QWidget = None)
              • schrodinger.application.msv.gui.color_editor.QColorButton: A button for selecting colors.
              • schrodinger.application.bioluminate.bwidgets.QuickHelpButton: A help button that has a blue gradient
            • PyQt5.QtWidgets.QToolButton: QToolButton(parent: QWidget = None)
              • schrodinger.application.matsci.mswidgets.StageControlButton: The QToolButtons on the right of each StageFrame
              • schrodinger.ui.qt.pop_up_widgets.ToolButtonWithPopUp: A checkable tool button with a pop up that appears whenever the button is pressed.
                • schrodinger.application.msv.gui.popup_dialogs.ColorButtonWithPopUp: A checkable button with text "Color" that has a pop up
                • schrodinger.application.msv.gui.popup_dialogs.QuickAnnotateButtonWithPopUp: A checkable button with text "Quick Annotate" that has a pop up
                • schrodinger.application.msv.gui.popup_dialogs.ViewButtonWithPopUp: A checkable button with text "View" that has a pop up
              • schrodinger.ui.qt.appframework._ToolButton
                • schrodinger.ui.qt.appframework.JobStatusToolButton
          • PyQt5.QtWidgets.QAbstractSpinBox: QAbstractSpinBox(parent: QWidget = None)
            • PyQt5.QtWidgets.QSpinBox: QSpinBox(parent: QWidget = None)
              • schrodinger.application.jaguar.gui.input_tab_widgets.BlankableSpinBox: A spin box that allows the empty string as an acceptable value
          • PyQt5.QtWidgets.QComboBox: QComboBox(parent: QWidget = None)
            • schrodinger.ui.qt.pop_up_widgets.ComboBoxWithPopUp: A combo box with a pop up that appears whenever the menu is pressed.
              • schrodinger.ui.residueselector.MutationSelectorComboBox: This combo box will show a residue type selection pop-up box when clicked.
            • schrodinger.application.desmond.fep_gui.CustomGPUComboBox
            • schrodinger.ui.qt.multi_combo_box.MultiComboBox: A combo box that allows multiple items to be selected.
              • schrodinger.application.phase.phase_widgets.FeatureMatchCombo: This class defines special variant of a combo box used in Edit Feature dialog to define features that are allowed and forbidden to match.
              • schrodinger.application.phase.phase_widgets.FeatureOptionsCombo: MultiComboBox containing feature presets.
            • schrodinger.ui.qt.swidgets.SComboBox: A QComboBox widget with several Pythonic enhancements.
              • schrodinger.application.jaguar.gui.utils.EnhancedComboBox: A combo box for use in the Jaguar GUI with several Pythonic enhancements
              • schrodinger.application.msv.gui.popup_dialogs.MsvComboBox: Subclass of swidgets.SComboBox that defines functionality to synchronize options with tabbed MSV widgets.
                • schrodinger.application.msv.gui.popup_dialogs.ColorSchemeComboBox: Class specifically for setting color.RowColorScheme info via a combo box.
              • schrodinger.application.matsci.builderwidgets.TemplateCombo: A Combo Box for managing template lists
              • schrodinger.application.jaguar.gui.input_tab_widgets.UseFromCombo: A combo box that allows the user to select the source for the project table: either included entries or selected entries.
          • PyQt5.QtWidgets.QDialog: QDialog(parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = Qt.WindowFlags())
            • schrodinger.application.bioluminate.antibody.management.ActiveDatabaseDialog: Modal dialog window that allows users to set active databases.
            • schrodinger.ui.ligfilter.AddDefinitionDialog: Frame for generating a pattern definition.
            • schrodinger.ui.chooseligand.ChooseLigandDialog
            • schrodinger.application.bioluminate.pml_menus.ColorChooserPanel: A window that lets the user choose a Maestro color.
            • schrodinger.application.jaguar.gui.base_panel.CoordinateDialog: This dialog allows user to select corrective action when the same coordinate is found in the lists of scans and constraints.
            • schrodinger.application.pldb.packages.pldb_gui_shell_dir.credentials_dialog_shell.CredentialsDialogShell
            • schrodinger.ui.ligfilter.DefinitionViewerDialog: Frame containing a text box with a text display of the definition.
            • schrodinger.infra.exception_handler_dir.exception_dialog.ExceptionDialog: A dialog for showing exceptions to users
            • schrodinger.application.msv.gui.get_sequences_dialog.GetSequencesDialog: A dialog for pulling sequences from online databases.
            • schrodinger.ui.picking.MaestrolessPickLigandDialog: Dialog to allow users to pick ligands outside of Maestro.
            • schrodinger.application.msv.gui.tab_widget.NewTabNameDialog
            • schrodinger.application.pldb.packages.pldb_gui_shell_dir.client_shell.PLDBProxyAuthDialogShell
            • schrodinger.application.bioluminate.propfilter.PropFilterDialog: Panel to allow the user to define criteria for filtering property values
            • schrodinger.ui.qt.propertyselector.PropertySelectorDialog: A popup window that allows the user to grab a property.
            • PyQt5.QtWidgets.QFileDialog: QFileDialog(QWidget, Union[Qt.WindowFlags, Qt.WindowType]) QFileDialog(parent: QWidget = None, caption: str = '', directory: str = '', filter: str = '')
              • schrodinger.ui.qt.filedialog.FileDialog: File browser dialog with custom sidebar.
                • schrodinger.application.jaguar.gui.filedialog.FileDialogWithExtraCombo: A Qt file dialog with an extra combo box about the filename text edit
                  • schrodinger.application.jaguar.gui.filedialog.ReadFileDialog: An Open dialog both with an extra combo box to specify what should be read from the specified file.
                • schrodinger.application.msv.gui.msv_widget.MSVImageExportDialog
                • schrodinger.application.bioluminate.bwidgets.SequenceFileDialog: Custom class to handle opening files related to sequences.
              • schrodinger.ui.qt.filedialog.OpenDirAsFileDialog: A file dialog tailored to allow the user to "open" directories such as projects or phase databases as if they were files.
                • schrodinger.ui.qt.filedialog.PhaseDatabaseOpenDialog: A file dialog tailored to opening Phase databases.
                • schrodinger.ui.qt.filedialog.ProjectOpenDialog: A file dialog tailored to opening Projects.
            • PyQt5.QtWidgets.QMessageBox: QMessageBox(parent: QWidget = None) QMessageBox(QMessageBox.Icon, str, str, buttons: Union[QMessageBox.StandardButtons, QMessageBox.StandardButton] = QMessageBox.NoButton, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = Qt.Dialog|Qt.MSWindowsFixedSizeDialogHint)
              • schrodinger.ui.qt.appframework.DontShowAgainDialog: Dialog that displays information for the user and contains a Don't Show This again checkbox
            • schrodinger.application.matsci.reordergui.ReorderAtomsDialog: A Window-Modal dialog that allows the user to reorder atoms in a comparison structure based on a reference structure.
            • schrodinger.ui.qt.swidgets.SDialog: A Base Dialog class for easier Dialog creation
              • schrodinger.application.matsci.jobdirdlg.NewJobDirDialog: SDialog to allow the user to read in information for a new job.
            • schrodinger.application.matsci.builderwidgets.SketchDialog: A Dialog window that opens a SketcherBox instance
            • schrodinger.application.matsci.mswidgets.SolventDialog: A Dialog that allows the user to pick a solvent model, solvent and parameters.
            • schrodinger.application.desmond.cwidget.StartDialogBase
              • schrodinger.application.desmond.cwidget.StartDialog1
              • schrodinger.application.desmond.cwidget.StartDialog2
            • schrodinger.application.matsci.builderwidgets.TemplateManager: A dialog that manages the user templates - currently only allows deletion
            • schrodinger.application.bioluminate.propfilter.ValueSelectionDialog: A SFilteredListWidget that allows the user to select certain values of a property for the criterion.
            • schrodinger.ui.picking._BaseMaestrolessPickResDialog: Base class for picking residues outside of Maestro
              • schrodinger.ui.picking.MaestrolessPickResidueDialog: Class for picking residues outside of Maestro.
          • PyQt5.QtWidgets.QDockWidget: QDockWidget(str, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = Qt.WindowFlags()) QDockWidget(parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = Qt.WindowFlags())
            • schrodinger.ui.maestro_ui.MM_QDockWidget
              • schrodinger.ui.qt.appframework.AppDockWidget: A DockWidget that calls the parent class's closeEvent when closing
            • schrodinger.application.bioluminate.ssv.viewer.SequenceDockWidget: The dock widget that can set a ViewerWindow as the main widget.
          • PyQt5.QtWidgets.QFrame: QFrame(parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = Qt.WindowFlags())
            • schrodinger.application.matsci.mswidgets.CompactSolventSelector: A single line of widgets that displays the currently chosen solvent and a button that will open a dialog allowing a new solvent model/solvent choice.
            • schrodinger.application.matsci.mswidgets.Divider: A raised divider line
            • schrodinger.application.desmond.gui.HorizontalBar
            • schrodinger.application.desmond.fep_gui.HorizontalBar
            • schrodinger.ui.residueselector.MutationSelectorFrame: This frame contains widgets for selecting one or more residue type (e.g.
              • schrodinger.ui.residueselector.MutationSelectorPopUp: A popup editor for selecting residue mutation targets.
            • schrodinger.application.msv.gui.popup_dialogs.PlusMinusWidget
            • schrodinger.ui.qt.pop_up_widgets.PopUp: The base class for pop up widgets.
              • schrodinger.application.msv.gui.popup_dialogs.BaseMsvPopup: Base class for MSV popup dialogs.
                • schrodinger.application.msv.gui.popup_dialogs.ColorPopUp: A popup dialog to provide options for color settings.
                • schrodinger.application.msv.gui.popup_dialogs.QuickAnnotationPopup: Popup dialog for performing annotations.
                • schrodinger.application.msv.gui.popup_dialogs.ViewStylePopUp: A popup dialog to provide options for viewing style
              • schrodinger.ui.residueselector.MutationSelectorPopUp: A popup editor for selecting residue mutation targets.
              • schrodinger.application.jaguar.gui.basis_selector._BasisSelectorPopUp: The pop up window that is displayed adjacent to BasisSelectorLineEdit
                • schrodinger.application.jaguar.gui.basis_selector.BasisSelector: A widget for selecting a Jaguar basis set without a line edit.
              • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.charge_selector._ChargeSelectorPopUp: The pop up window that is displayed adjacent to L(ChargeSelectorLineEdit}
            • schrodinger.ui.qt.appframework.PopUpWidget
            • PyQt5.QtWidgets.QAbstractScrollArea: QAbstractScrollArea(parent: QWidget = None)
              • PyQt5.QtWidgets.QAbstractItemView: QAbstractItemView(parent: QWidget = None)
                • PyQt5.QtWidgets.QListView: QListView(parent: QWidget = None)
                  • PyQt5.QtWidgets.QListWidget: QListWidget(parent: QWidget = None)
                    • schrodinger.ui.qt.swidgets.SListWidget: A QListWidget that can set its items and set up a callback at creation.
                      • schrodinger.ui.qt.swidgets.SFilteredListWidget: An SListWidget with an additional line edit that can be used to filter the items within the ListWidget
                        • schrodinger.application.bioluminate.propfilter.SelectingFilteredListWidget: A QListWidget that contains a edit to allow the user to filter the contents of the widget.
                      • schrodinger.application.matsci.reordergui.StructureListWidget: A QListWidget that interacts with a structure picture to select atoms.
                        • schrodinger.application.matsci.reordergui.ComparisonListWidget: The list widget for the Comparison structure.
                        • schrodinger.application.matsci.reordergui.ReferenceListWidget: The ListWidget for the reference structure.
                • PyQt5.QtWidgets.QTableView: QTableView(parent: QWidget = None)
                  • schrodinger.application.jaguar.gui.utils.ProjTableLikeView: A table view that mimics the selecting and editing behaviors of the Project Table
                    • schrodinger.application.jaguar.gui.input_tab_widgets.InputEntriesView: The view for the input entries table
                      • schrodinger.application.jaguar.gui.input_tab_widgets_pka.InputEntriesViewPka: The view for the pKa selected entries table
                    • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.base_widgets.SubTabTableView: A table view with a right click menu for removing selected rows.
                      • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.basis_set_widgets.BasisSetTableView
                      • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.charge_constraints_widgets.ChargeConstraintsTableView: The view for the charge constraints.
                  • PyQt5.QtWidgets.QTableWidget: QTableWidget(parent: QWidget = None) QTableWidget(int, int, parent: QWidget = None)
                    • schrodinger.application.bioluminate.antibody.management.ActiveDatabaseTable: Table that is used to show and carry out actions on all databases loaded by user.
                    • schrodinger.ui.qt.appframework.JobTable
                    • schrodinger.application.jaguar.gui.utils.PropertiesTableWidget: A QTableWidget for the Properties table on the Properties tab
                    • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.charge_selector._ChargeSelectorTableWidget: The table used to specify weights for a charge constraint
                  • schrodinger.application.bioluminate.antibody.search_results_table.TableView: A table view for both full and split search results.
                  • schrodinger.ui.qt.structtable.ViewerTable
                    • schrodinger.application.combiglide.combenumdock.editableViewerTable
                • PyQt5.QtWidgets.QTreeView: QTreeView(parent: QWidget = None)
                  • schrodinger.application.msv.gui.view.AbstractAlignmentView
                    • schrodinger.application.msv.gui.view.NoScrollAlignmentView: Alignment view without scroll bars, used in saving the entire alignment as an image.
                    • schrodinger.application.msv.gui.view.ProteinAlignmentView
                  • schrodinger.application.msv.gui.view.BaseFixedColumnsView: Class for fixed column views to be shown alongside an alignment view.
                    • schrodinger.application.msv.gui.view.AlignmentInclusionView: View for the fixed columns to the left of the alignment that includes the structure title.
                    • schrodinger.application.msv.gui.view.AlignmentInfoView: View for the fixed columns to the right of the alignment that includes sequence identity and homology.
                  • schrodinger.ui.maestro_ui.maestro.SHView
              • PyQt5.QtWidgets.QGraphicsView: QGraphicsView(parent: QWidget = None) QGraphicsView(QGraphicsScene, parent: QWidget = None)
                • schrodinger.ui.dendro.DendrogramView
                • schrodinger.application.combiglide.combenumdock._StructView
                • schrodinger.ui.sketcher.sketcherView
                • schrodinger.ui.qt.structure2d.structure_view: View which holds a structure_item object
                  • schrodinger.application.jaguar.gui.tabs.reaction_tab.ParticipantView: This class is a subclass of a QGraphicsView that holds a single structure_item, to display a single 2D structure.
                  • schrodinger.application.matsci.reordergui.StructureView: View which holds a structure_item object
              • PyQt5.QtWidgets.QScrollArea: QScrollArea(parent: QWidget = None)
                • schrodinger.application.phase.featureselector.FeatureSelector: This frame contains widgets for selecting one or more features in a hypothesis (e.g.
                • schrodinger.application.matsci.mswidgets.MultiStageArea: A scrollable frame meant to hold multiple stages.
            • PyQt5.QtWidgets.QLabel: QLabel(parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = Qt.WindowFlags()) QLabel(str, parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = Qt.WindowFlags())
              • schrodinger.application.desmond.fep_gui.AdvLabel: A mutli-line label with small, bold text.
              • schrodinger.application.desmond.cwidget.AdvLabel: A mutli-line label with small, bold text.
              • schrodinger.application.msv.gui.popup_dialogs.ClickableLabel: A label that emits a 'clicked' signal when clicked
                • schrodinger.application.msv.gui.popup_dialogs.ColorCircleToggle: A label composed of a sphere filled with a solid color.
                • schrodinger.application.msv.gui.popup_dialogs.DarkBackgroundLabel: A label that has dark background and text in white
              • schrodinger.application.bioluminate.pml_menus.ColorLabel: A label that shows off the color each element will be colored if this menu item is chosen.
              • schrodinger.application.msv.gui.popup_dialogs.GrayLabel: A label with smaller font and gray text, white background
              • schrodinger.ui.qt.swidgets.SLabel: A QLabel that can pack itself into a layout upon creation
                • schrodinger.application.matsci.builderwidgets.StructureLabel: A label that gives information about the ligand for a given row and shows the set structure in a tooltip.
              • schrodinger.ui.qt.structure2d.StructurePicture: This is the label that normally stores the picture of the molecule.
                • schrodinger.ui.qt.structure2d.StructureToolTip: A tooltip that shows a chemical structure
                  • schrodinger.application.matsci.builderwidgets.RGroupStructureToolTip: A structure tooltip that displays Rx labels for the Rx atoms
            • PyQt5.QtWidgets.QSplitter: QSplitter(parent: QWidget = None) QSplitter(Qt.Orientation, parent: QWidget = None)
              • schrodinger.ui.sequencealignment.sequence_viewer.SequenceViewer: The sequence viewer widget displays and manipulates sequences and associated data.
                • schrodinger.application.bioluminate.ssv.viewer.SimplifiedSequenceViewer: Creates a sequence viewer that can be opened by an action or added to a main window as a dockable item.
            • schrodinger.application.matsci.qualityslider.QualitySlider: A widget that allows the user to see and edit the Jaguar keywords for three different accuracy levels.
            • schrodinger.application.matsci.reordergui.ReorderAtomFrame: A frame which allows the user to reorder the atoms of a comparison structure based on the atom order of a reference structure.
            • schrodinger.application.bioluminate.protein_report_widget.ReportFrame: A QtWidgets.QFrame that contains a Protein Report
              • schrodinger.application.bioluminate.protein_structure_quality.MultiReportWithChart: A Protein Report widget that can deal with multiple protein structures and also has a slider chart that can be used to select residues.
            • schrodinger.application.bioluminate.pml_menus.ResultsWindow
            • schrodinger.ui.qt.swidgets.SFrame: A Frame that can be placed in a layout and is given a layout when created
              • schrodinger.application.matsci.chargegui.BasisSetSelector: A frame that contains a label, line edit and pop up widgets for specifying a basis set
              • schrodinger.application.matsci.cgforcefieldgui.CGForceFieldSelector: A set of widgets to allow selecting the coarse-grained force field
              • schrodinger.application.matsci.builderwidgets.ItemRow: A row of control widgets for a ligand
                • schrodinger.application.matsci.builderwidgets.ItemRowWithTemplates: An ItemRow that holds the data for one unit and includes a combo for choosing Template structures
              • schrodinger.application.matsci.chargegui.NeighborTreatment: An SFrame that contains a set of widgets that allows the user to pick whether neighboring atoms will be dealt with as atoms, existing charges or on-the-fly ESP charges
              • schrodinger.application.matsci.jobdirdlg.NewJobDirFrame: A collection of widgets that reads in the JobDB and puts jobs in a table that can be selected.
              • schrodinger.application.matsci.builderwidgets.SketcherBox: Set of widgets that controls a 2D sketcher and has additional widgets that allow the user to load/save/delete templates for the sketcher and import structures from the workspace into the sketcher.
                • schrodinger.application.matsci.builderwidgets.ComplexTemplateSketcher: A 2D sketcher that is decorated with a number of widgets for creating and saving templates.
              • schrodinger.application.matsci.mswidgets.StageFrame: The base frame for a stage in a MultiStageArea
            • schrodinger.application.bioluminate.sliderchart.SliderPlot: A chart that contains four lines the user can slide to select a region of the chart.
            • schrodinger.application.matsci.reordergui.StructureFrame: A QFrame that contains a 2D image of a structure.
              • schrodinger.application.matsci.reordergui.ComparisonFrame: The StructureFrame for the Comparison structure
              • schrodinger.application.matsci.reordergui.ReferenceFrame: The StructureFrame for the Reference structure
          • PyQt5.QtWidgets.QGroupBox: QGroupBox(parent: QWidget = None) QGroupBox(str, parent: QWidget = None)
            • schrodinger.application.desmond.fep_gui._ProtItem: Frame for each checkable group of the second tab of the panel (Plan Calculation).
            • schrodinger.application.desmond.cwidget._SdIncorpFrame: The incorporation (output) frame of the start dialog.
            • schrodinger.application.desmond.cwidget._SdJobFrame: Frame for the master job options
            • schrodinger.application.desmond.cwidget._SdMasterjob
            • schrodinger.application.desmond.cwidget._SdSubjobFrame
          • PyQt5.QtWidgets.QLineEdit: QLineEdit(parent: QWidget = None) QLineEdit(str, parent: QWidget = None)
            • schrodinger.ui.qt.pop_up_widgets.LineEditWithPopUp: A line edit with a pop up that appears whenever the line edit has focus.
              • schrodinger.application.jaguar.gui.basis_selector.BasisSelectorLineEdit: A line edit that can be used to select a basis set.
              • schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.charge_selector.ChargeSelectorLineEdit: A line edit that can be used to select constraint's charge and individual atom weights.
              • schrodinger.ui.residueselector.MutationSelectorLineEdit: This line edit will show a residue type selection pop-up box when clicked.
            • schrodinger.ui.maestro_ui.MM_QLineEdit
            • schrodinger.application.bioluminate.bwidgets.NumericLineEdit: A QtWidgets.QLineEdit with a builtin validator for floats or integers.
            • schrodinger.ui.qt.swidgets.SLineEdit: A QLineEdit that accepts a validator as one of its arguments
              • schrodinger.application.matsci.atomicsymbolsgui.ElementEdit: A QLineEdit that only accepts atomic symbols and always contains the last valid value when it loses keyboard focus
              • schrodinger.ui.qt.swidgets.SLabeledEdit: An SLineEdit that has a label attached to it.
                • schrodinger.application.matsci.qualityslider.KeywordEdit: A swidgets.SLabeledEdit for displaying, editing and retrieving Jaguar keywords.
          • PyQt5.QtWidgets.QMainWindow: QMainWindow(parent: QWidget = None, flags: Union[Qt.WindowFlags, Qt.WindowType] = Qt.WindowFlags())
            • schrodinger.ui.qt.appframework.AppFramework: The AppFramework class is basically a hull for applications.
              • schrodinger.application.canvas.clustergui.ClusterStatisticsPlotDialog: A class which displays a dialog with a plot of the statistics for the most recent clustering
              • schrodinger.application.canvas.clustergui.DendrogramPlotDialog: A class which displays a dialog with a plot of the dendrogram from the most recent clustering
              • schrodinger.application.canvas.clustergui.DistanceMatrixPlotDialog: A class which displays a dialog with a plot of the distance matrix associated with the most recent clustering
              • schrodinger.application.bioluminate.protein_structure_quality.ProteinStructureQualityViewer: The Main Panel Class
              • schrodinger.ui.chooseligand.TestApp: Class for testing this module.
              • schrodinger.application.desmond.fep_gui._App: Class shared by Desmond and Mcpro applications
                • schrodinger.application.desmond.fep_gui.DesmondApp: Class shared by all Desmond panels.
                • schrodinger.application.desmond.fep_gui.McproApp: Class shared by all Mcpro panels
            • schrodinger.application.jaguar.gui.edit_dialog.EditDialog: A dialog that allows JaguarInput objects to be directly edited.
            • schrodinger.application.bioluminate.ssv.viewer.ViewerWindow: Provides the SimplifiedSequenceViewer with a window to occupy.
            • schrodinger.ui.sketcher.sketcher
          • PyQt5.QtWidgets.QMenu: QMenu(parent: QWidget = None) QMenu(str, parent: QWidget = None)
            • schrodinger.application.msv.gui.view.AbstractMsvContextMenu
              • schrodinger.application.msv.gui.view.DefaultContextMenu
              • schrodinger.application.msv.gui.view.EmbeddedMSVContextMenu
            • schrodinger.application.bioluminate.pml_menus.ColorByElementSubMenu: The Color by Element submenu
            • schrodinger.ui.qt.appframework.MonitorDropdown: A menu-derived object which exists solely as an adapter to allow the mini- monitor to be dropped out of the job status toolbutton.
            • schrodinger.application.bioluminate.pml_menus.PMLMenu: The base menu class we subclass from
              • schrodinger.application.bioluminate.pml_menus.ActionMenu: The Action menu
              • schrodinger.application.bioluminate.pml_menus.AroundExpandSubMenu: The modify-around submenu of the action menu
              • schrodinger.application.bioluminate.pml_menus.AsMenu: The Show->As submenu
              • schrodinger.application.bioluminate.pml_menus.AutoColorSubMenu: The Color menu
              • schrodinger.application.bioluminate.pml_menus.ColorChainSubMenu: The ColorChainSubMenu menu
              • schrodinger.application.bioluminate.pml_menus.ColorMenu: The Color menu
              • schrodinger.application.bioluminate.pml_menus.ColorSpectrumSubMenu: The ColorSpectrumSubMenu menu
              • schrodinger.application.bioluminate.pml_menus.ColorSubstructureSubMenu: The ColorSubstructureSubMenu menu
              • schrodinger.application.bioluminate.pml_menus.CompleteSubMenu: The modify-complete submenu of the action menu
              • schrodinger.application.bioluminate.pml_menus.ComputeSubMenu: The Action Compute submenu
              • schrodinger.application.bioluminate.pml_menus.EntrySubMenu: A submenu that lists all enabled Entry objects
              • schrodinger.application.bioluminate.pml_menus.ExcludeSubMenu: The modify-exclude submenu of the action menu
              • schrodinger.application.bioluminate.pml_menus.ExtendSubMenu: The modify-extend submenu of the action menu
              • schrodinger.application.bioluminate.pml_menus.FindPCSubMenu: The Find Polar Contacts submenu
              • schrodinger.application.bioluminate.pml_menus.GenSelectionSubMenu: The Action Generate Selection submenu
              • schrodinger.application.bioluminate.pml_menus.GenSymMatesSubMenu: The Action Generate Symmetry Mates submenu
              • schrodinger.application.bioluminate.pml_menus.GeneralContextSubMenu: The submenu that contains all the main actions used for most context menus
                • schrodinger.application.bioluminate.pml_menus.ObjectFreeContextSubMenu: The GeneralContextSubMenu for a right-click that is not on an object
                • schrodinger.application.bioluminate.pml_menus.SubstructureContextSubMenu: The GeneralContextSubMenu for a right-click that is on an atom
              • schrodinger.application.bioluminate.pml_menus.GenerateSubMenu: The Action Generate submenu
              • schrodinger.application.bioluminate.pml_menus.HideHydrogenSubMenu: The Hide Hydrogen submenu
              • schrodinger.application.bioluminate.pml_menus.HideMenu: The Hide menu
              • schrodinger.application.bioluminate.pml_menus.HydrogenSubMenu: The Action Hydrogen submenu
              • schrodinger.application.bioluminate.pml_menus.IncludeSubMenu: The modify-include submenu of the action menu
              • schrodinger.application.bioluminate.pml_menus.InvertSubMenu: The modify-invert submenu of the action menu
              • schrodinger.application.bioluminate.pml_menus.LabelAtomIdentSubMenu: The Label Atom Identifiers submenu
              • schrodinger.application.bioluminate.pml_menus.LabelMenu: The Label menu
              • schrodinger.application.bioluminate.pml_menus.LabelOtherSubMenu: The Label Other Properties submenu
              • schrodinger.application.bioluminate.pml_menus.LigandSitesSubMenu: The Action-Preset-Ligand Sites submenu
              • schrodinger.application.bioluminate.pml_menus.ModifySubMenu: The modify submenu of the action menu
              • schrodinger.application.bioluminate.pml_menus.PMLContextMenu: The base menu class we subclass from for context menus
                • schrodinger.application.bioluminate.pml_menus.AtomContextMenu: The context menu for right-clicks on non-selected atoms
                • schrodinger.application.bioluminate.pml_menus.SelectedAtomContextMenu: The context menu for right-clicks on selected atoms
                • schrodinger.application.bioluminate.pml_menus.SpaceContextMenu: The context menu for right-clicks in space
              • schrodinger.application.bioluminate.pml_menus.PolarContactsSubMenu: The Polar Contacts submenu
              • schrodinger.application.bioluminate.pml_menus.PresetSubMenu: The Preset submenu
              • schrodinger.application.bioluminate.pml_menus.RestrictSubMenu: The modify-restrict submenu of the action menu
              • schrodinger.application.bioluminate.pml_menus.SelectedAtomContextActionSubMenu: The submenu that allows the user to enable/disable individual objects
              • schrodinger.application.bioluminate.pml_menus.SelectionSubMenu: A submenu that lists all enabled Entry objects
              • schrodinger.application.bioluminate.pml_menus.ShowMenu: The Show menu
              • schrodinger.application.bioluminate.pml_menus.SurfaceAreaSubMenu: The Action Surface Area submenu
              • schrodinger.application.bioluminate.pml_menus.ToggleStateSubMenu: The submenu that allows the user to enable/disable individual objects
            • schrodinger.application.bioluminate.pml_menus.RecentColorSubMenu: A submenu that shows the most recently chosen colors - these color choices are updated each time the menu shows to reflect the most recently chosen colors at the top.
              • schrodinger.application.bioluminate.pml_menus.RecentCarbonColorSubMenu: A submenu that shows the most recently chosen carbon colors - these color choices are updated each time the menu shows to reflect the most recently chosen colors at the top.
              • schrodinger.application.bioluminate.pml_menus.RecentHydrogenColorSubMenu: A submenu that shows the most recently chosen hydrogen colors - these color choices are updated each time the menu shows to reflect the most recently chosen colors at the top.
              • schrodinger.application.bioluminate.pml_menus.RecentObjectColorSubMenu: A submenu that shows the most recently chosen object colors - these color choices are updated each time the menu shows to reflect the most recently chosen colors at the top.
            • schrodinger.application.bioluminate.pml_menus.ShowOrganicMenu: The Show->Organic submenus
            • schrodinger.application.bioluminate.pml_menus.ShowSubstructureMenu: The Show->substructure submenus
            • schrodinger.application.msv.gui.tab_widget.TabLabelContextMenu: Context menu for the tab label.
            • schrodinger.application.msv.gui.view.VHeaderContextMenu: Class for context menus in the info section of the view.
          • PyQt5.QtWidgets.QMenuBar: QMenuBar(parent: QWidget = None)
            • schrodinger.application.msv.gui.menu.MsvMenuBar
              • schrodinger.application.msv.gui.menu.MaestroMsvMenuBar
          • PyQt5.QtWidgets.QProgressBar: QProgressBar(parent: QWidget = None)
            • schrodinger.ui.qt.appframework.CustomProgressBar: Class for a custom progress bar (at the bottom of some panels).
          • PyQt5.QtWidgets.QTabWidget: QTabWidget(parent: QWidget = None)
            • schrodinger.application.msv.gui.tab_widget.MSVTabWidget: QTabWidget customized for MSV
          • PyQt5.QtWidgets.QToolBar: QToolBar(str, parent: QWidget = None) QToolBar(parent: QWidget = None)
            • schrodinger.application.bioluminate.ssv.toolbars.AntibodyNumberingToolBar: Get the toolbar that has the combobox with the antibody numering schemes.
            • schrodinger.application.bioluminate.ssv.toolbars.ConsensusToolBar: A toolbar associated with the viewer that will handle display options.
            • schrodinger.application.bioluminate.ssv.toolbars.FindToolBar: Create an instance of the "Find Pattern" toolbar from the MSV.
            • schrodinger.application.bioluminate.ssv.toolbars.ImportToolBar: Get the toolbar that has the import dialogs.
            • schrodinger.ui.sketcher.sketcherGUIMultiColumnToolBar
          • PyQt5.QtWebKitWidgets.QWebView: QWebView(parent: QWidget = None)
            • schrodinger.utils.welcome_dialog_dir.base_welcome.MyWebView
          • schrodinger.application.bioluminate.bwidgets.RowActionItem: Custom widget to be used in a table cell.
          • schrodinger.application.msv.gui.popup_dialogs.SideBySideToggle: A customized widget for switching between text options representing different values
          • schrodinger.application.bioluminate.antibody.search_results_table.SplitTable: A widget to contain both split search results tables (i.e.
          • schrodinger.application.combiglide.combenumdock.WidgetWithClosedSignal
          • schrodinger.application.desmond.fep_gui._DesmondProt: Frame for the second tab ("Plan Calculation") of the Desmond GUIs.
          • schrodinger.application.desmond.fep_gui._McproProt: Frame for the second tab ("Plan Calculation") of the Mcpro GUIs.
          • schrodinger.application.desmond.fep_gui._Pert: Frame for the bottom part of the "Plan Calculation" tab of Mcpro GUIs.
          • schrodinger.application.desmond.cwidget._SdDetailFrame: Frame for the section that gets shown when the "Detail" button is toggled on.
        • schrodinger.application.jaguar.gui.tabs.reaction_tab.ReactionParticipant: This class holds all the information for each participant in the reaction, be it reactant or product.
        • schrodinger.application.msv.domain.sequence.Sequence: Base class for biological sequences
          • schrodinger.application.msv.domain.sequence.ProteinSequence
        • schrodinger.tasks.runners.TaskRunner
          • schrodinger.tasks.runners.JobTaskRunner
        • schrodinger.application.msv.gui.popup_dialogs.ToggleOption: An instance handles one side of a SideBySideToggle
        • schrodinger.application.msv.gui.viewmodel.ViewModel: An abstraction layer for the various table models in this module
        • schrodinger.application.matsci.mswidgets.WheelEventFilterer: An event filter that turns off wheel events for the affected widget
        • schrodinger.ui.maestro_ui.WorkspaceHub
        • schrodinger.application.msv.io.structure_model._ProjectTableMonitor: Inspect changes in the project and emit informative signals
      • PyQt5.QtWidgets.QTableWidgetItem: QTableWidgetItem(type: int = QTableWidgetItem.Type) QTableWidgetItem(str, type: int = QTableWidgetItem.Type) QTableWidgetItem(QIcon, str, type: int = QTableWidgetItem.Type) QTableWidgetItem(QTableWidgetItem)
        • schrodinger.ui.qt.appframework.ColoredTableItem
      • PyQt5.QtWidgets.QUndoCommand: QUndoCommand(parent: QUndoCommand = None) QUndoCommand(str, parent: QUndoCommand = None)
        • schrodinger.application.msv.command.Command
      • schrodinger.ui.maestro_ui.WHChain
      • schrodinger.ui.maestro_ui.WHEntry
      • schrodinger.ui.maestro_ui.WHResidue
      • schrodinger.ui.sketcher.sketcherChemicalKnowledge
      • schrodinger.ui.sketcher.sketcherLID
      • schrodinger.ui.sketcher.sketcherMolecule
      • schrodinger.ui.sketcher.sketcherStyle
  • schrodinger.infra.fast3d.stringvector
  • tuple: tuple() -> empty tuple tuple(iterable) -> tuple initialized from iterable's items
    • schrodinger.application.desmond.packages.timer.Timer.Args: Args(message, threshold, fmt, record, logger)
    • schrodinger.application.pldb.packages.pldb_gui_shell_dir.credentials_dialog_shell.Controller: Controller(server_settings, file_types)
    • schrodinger.application.matsci.espresso.qeinput.DataType: DataType(engine, path)
    • schrodinger.application.canvas.topo_descriptors.Descriptor: Descriptor(func, cast_type, label, key)
    • schrodinger.application.matsci.espresso.qeoutput.EsmType: EsmType(data, bc_type, efield)
    • schrodinger.application.desmond.stage.FepTypes: FepTypes(PRM_STABILITY, PROTEIN_SELECTIVITY, COVALENT_LIGAND, SMALL_MOLECULE, METALLOPROTEIN)
    • schrodinger.application.matsci.espresso.qeoutput.KptLegend: KptLegend(label, coords)
    • schrodinger.test.stu.outcomes.job_status.LicenseAction: LicenseAction(feature, count, tag, action)
    • schrodinger.tasks.parameters.Param.NO_VALUE: NO_VALUE()
    • schrodinger.application.matsci.clusterstruct.Neighbor: Neighbor(home_atom, neighbor_atom, dsq)
    • schrodinger.application.jaguar.gui.input_tab_widgets.ProjEntryTuple: ProjEntryTuple(entry_id, struc, charge, spin_mult, basis)
    • schrodinger.application.jaguar.gui.input_tab_widgets_pka.ProjEntryTuplePka: ProjEntryTuplePka(entry_id, struc, charge, spin_mult, pka_atom)
    • schrodinger.structutils.rgroup_enumerate.RGroup: RGroup(atom_index, source_index)
    • unreachable.ResData: ResData(molnum, chain, name, number)
      • schrodinger.application.desmond.fep_edge_data.ResData: A class to store the molecule number, chain, name, and number of a residue
    • schrodinger.application.msv.domain.residue.ResidueOrigin: ResidueOrigin(entry_id, number_by_entry)
    • schrodinger.application.msv.domain.alignment.ResidueSelection: ResidueSelection(residues, indices)
    • schrodinger.application.msv.gui.viewmodel.RowOrder: RowOrder(sort_by, sort_order, reordering)
    • schrodinger.application.matsci.smartsutils.SMARTSGroupData: SMARTSGroupData(number, name, pattern, indexes)
    • schrodinger.application.msv.gui.viewmodel.SequenceNums: SequenceNums(all, structured_only)
    • schrodinger.application.matsci.cgforcefield.ShadowData: ShadowData(name1, name2, depth)
    • schrodinger.application.jaguar.gui.utils.Solvent: Solvent(name, keyvalue, dielectric, radius, weight, density)
    • schrodinger.application.matsci.cgforcefield.VDWData: VDWData(vtype, charge)
    • schrodinger.application.matsci.espresso.qeoutput.WfcType: WfcType(atom_idx, atom_type, n_qn, l_qn, m_qn)
    • schrodinger.application.jaguar.gui.input_tab_widgets._Basis: Basis(basis, polarization, diffuse)
      • schrodinger.application.jaguar.gui.input_tab_widgets.Basis: Class for representing a basis set.
    • schrodinger.application.jaguar.basis._BasisSet: BasisSet(name, backup, nstar, nplus, is_ecp, is_ps, numd, numf)
      • schrodinger.application.jaguar.basis.BasisSet: A Pythonic wrapper for basis set information.
    • schrodinger.application.bioluminate.interaction_calculator._ResTuple: _ResTuple(chain, resnum, inscode, pdbres)
      • schrodinger.application.bioluminate.interaction_calculator.ResTuple: A class to store a residue.
    • schrodinger.application.licensing.lmgrd_log_parser.event: event(time, feature, tokens, user, host)
    • schrodinger.application.licensing.licadmin.stat_info: stat_info(total, used)
  • type: type(object) -> the object's type type(name, bases, dict) -> a new type
    • abc.ABCMeta: Metaclass for defining Abstract Base Classes (ABCs).
    • enum.EnumMeta: Metaclass for Enum
      • schrodinger.ui.qt.table_helper._TableColumnsMeta: A metaclass for TableColumns.
    • schrodinger.application.desmond.ffiostructure._FEPIOSubBlockMeta: A meta-class to different fepio sub block type classses.
    • schrodinger.application.desmond.ffiostructure._FFIOSubBlockMeta: A meta-class to different ffio sub block type classses.
    • schrodinger.application.desmond.picklejar.Picklable.__metaclass__
      • schrodinger.application.desmond.cmj.StageBase.__metaclass__
    • schrodinger.application.desmond.systype.TyperBase.__metaclass__
    • sip.wrappertype
      • schrodinger.tasks.parameters.ParamMeta: This metaclass modifies the creation of CompoundParam instances in the following ways:
  • schrodinger.utils.csv_unicode.writer: A CSV writer that can handle Unicode characters.
• schrodinger.application.mcpro.zmat.proteinHandler: Class provides methods to write the pepz input file
• schrodinger.Qt.QtCore.pyqtWrapperType
• schrodinger.Qt.QtCore.pyqtWrapperType
• schrodinger.ui.widget.pmwwidget.schroPmwWrapper: Parent class for all Schrodinger Pmw widgets.
  • schrodinger.ui.widget.pmwwidget.Balloon: Class that mimics the Pmw.Balloon class.
  • schrodinger.ui.widget.pmwwidget.ButtonBox: Class that mimics the Pmw.ButtonBox class.
  • schrodinger.ui.widget.pmwwidget.ComboBox: Class that mimics the Pmw.ComboBox class.
    • schrodinger.ui.propertyselector.PropertySelectorMenu: Pull-down menu style property selected Used by VSW GUI
  • schrodinger.ui.widget.pmwwidget.Counter: Class that mimics the Pmw.Counter class.
  • schrodinger.ui.widget.pmwwidget.Dialog: Class that mimics the Pmw.Dialog class.
  • schrodinger.ui.widget.pmwwidget.EntryField: Class that mimics the Pmw.EntryField class.
  • schrodinger.ui.widget.pmwwidget.Group: Class that mimics the Pmw.Group class.
  • schrodinger.ui.widget.pmwwidget.MainMenuBar: Class that mimics the Pmw.MainMenuBar class.
  • schrodinger.ui.widget.pmwwidget.MessageDialog: Class that mimics the Pmw.Dialog class.
    • schrodinger.ui.widget.pmwwidget.showinfo: Class designed to mimic the tkMessageBox.showinfo class with the caveat that a parent argument must be specified.
    • schrodinger.ui.widget.pmwwidget.showwarning: Class designed to mimic the tkMessageBox.showwarning class with the caveat that a parent argument must be specified.
  • schrodinger.ui.widget.pmwwidget.NoteBook: Class that mimics the Pmw.NoteBook class.
  • schrodinger.ui.widget.pmwwidget.OptionMenu: Class that mimics the Pmw.OptionMenu class.
  • schrodinger.ui.widget.pmwwidget.PanedWidget: Class that mimics the Pmw.PanedWidget class.
  • schrodinger.ui.widget.pmwwidget.PromptDialog: Class that mimics the Pmw.Dialog class.
  • schrodinger.ui.widget.pmwwidget.RadioSelect: Class that mimics the Pmw.RadioSelect class.
  • schrodinger.ui.widget.pmwwidget.ScrolledCanvas: Class that mimics the Pmw.ScrolledCanvas class.
  • schrodinger.ui.widget.pmwwidget.ScrolledFrame: Class that mimics the Pmw.ScrolledFrame class.
  • schrodinger.ui.widget.pmwwidget.ScrolledListBox: Class that mimics the Pmw.ScrolledListBox class.
  • schrodinger.ui.widget.pmwwidget.ScrolledText: Class that mimics the Pmw.ScrolledText class.
• schrodinger.ui.widget.tkinterwidget.schroWidget: Class for all schrodinger Tkinter widgets.
  • schrodinger.ui.widget.tkinterwidget.Button: Class that mimics the Tkinter.Button class.
  • schrodinger.ui.widget.tkinterwidget.Canvas: Class that mimics the Tkinter.Canvas class.
  • schrodinger.ui.widget.tkinterwidget.Checkbutton: Class that mimics the Tkinter.Checkbutton class.
  • schrodinger.ui.widget.tkinterwidget.Entry: Class that mimics the Tkinter.Entry class.
  • schrodinger.ui.widget.tkinterwidget.Frame: Class that mimics the Tkinter.Frame class.
    • schrodinger.application.desmond.guide.Guide: This class provides a primitive workflow widget.
    • schrodinger.application.mcpro.guide.Guide: This class provides a simplistic workflow widget.
    • schrodinger.ui.propertyselector.PropertySelector: Class for selecting properties, with features to organize by family/owner, filter by name, and/or sort items in the list.
    • schrodinger.application.desmond.guide._Step: This is a class that represents the step as in the 'guide' widget (see below).
  • schrodinger.ui.widget.tkinterwidget.HorizontalBar: Class intended to mimic the horizontal bar that divides the bottom buttons from the rest of the panel in Maestro.
  • schrodinger.ui.widget.tkinterwidget.Label: Class that mimics the Tkinter.Label class.
  • schrodinger.ui.widget.tkinterwidget.LabelFrame: Class that mimics the Tkinter.LabelFrame class.
  • schrodinger.ui.widget.tkinterwidget.Listbox: Class that mimics the Tkinter.Listbox class.
  • schrodinger.ui.widget.tkinterwidget.Menu: Class that mimics the Tkinter.Menu class.
  • schrodinger.ui.widget.tkinterwidget.Menubutton: Class that mimics the Tkinter.Menubutton class.
  • schrodinger.ui.widget.tkinterwidget.Message: Class that mimics the Tkinter.Message class.
  • schrodinger.ui.widget.tkinterwidget.NoteBookButton: Button Specifically designed for use with the Schoridinger-ized NoteBook Mega-Widget.
  • schrodinger.ui.widget.tkinterwidget.PanedWindow: Class that mimics the Tkinter.PanedWindow class.
  • schrodinger.ui.widget.tkinterwidget.PhotoImage: Class that mimics the Tkinter.PhotoImage class.
  • schrodinger.ui.widget.tkinterwidget.PickToggle: Class meant to replicate Maestro pick toggles.
    • schrodinger.ui.widget.tkinterwidget.PickAtomToggle: Class meant to replicate Maestro atom pick toggles.
    • schrodinger.ui.widget.tkinterwidget.PickBondToggle: Class meant to replicate Maestro bond pick toggles.
  • schrodinger.ui.widget.tkinterwidget.Radiobutton: Class that mimics the Tkinter.Radiobutton class.
  • schrodinger.ui.widget.tkinterwidget.Scale: Class that mimics the Tkinter.Scale class.
  • schrodinger.ui.widget.tkinterwidget.Scrollbar: Class that mimics the Tkinter.Scrollbar class.
  • schrodinger.ui.widget.tkinterwidget.Spinbox: Class that mimics the Tkinter.Spinbox class.
  • schrodinger.ui.widget.tkinterwidget.TableEntry: Class of Tkinter.Entry widget intended for use with Schrodinger Table class which is still under development.
  • schrodinger.ui.widget.tkinterwidget.Text: Class that mimics the Tkinter.Text class.
  • schrodinger.ui.widget.tkinterwidget.Toplevel: Class that mimics the Tkinter.Toplevel class.