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2014-2 Schrodinger Python API
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N
N
(in
_VDAxis
)
NCOORDTYPES
(in
schrodinger.infra.mm
)
node_names_at_levels
(in
CoreClassifier
)
N
(in
_VDCoordinateFrame
)
ncpusChanged()
(in
_SdDetailFrame
)
NODEFAULT
(in
schrodinger.utils.preferences
)
n2s()
(in
schrodinger.test.stu.outcomes.jaguarDiff'
)
ncpusModified()
(in
_SdJobFrame
)
NOE
(in
schrodinger.application.glide.glide
)
N_HATOM
(in
schrodinger.application.desmond.r_group_asl
)
ncpusModified()
(in
_SdSubjobFrame
)
NOEConstraint
(in
schrodinger.application.glide.glide
)
n_set
(in
schrodinger.application.desmond.r_group_asl
)
ncuts()
(in
schrodinger.application.qsite.output
)
nofitgrow_call()
(in
schrodinger.application.desmond.maestro
)
NA
(in
schrodinger.application.glide.glide
)
NDDO
(in
schrodinger.application.qsite.input
)
NOGEOPT
(in
schrodinger.application.moldescriptors.impl
)
NAME
(in
StageBase
)
nddo_atoms()
(in
schrodinger.application.qsite.output
)
NoInputTabJobMixin
(in
schrodinger.application.jaguar.gui.base_panel
)
NAME
(in
schrodinger.application.desmond.enhanced_sampling.mexpLexer
)
nddo_hcaps()
(in
schrodinger.application.qsite.output
)
NOJOBID
(in
schrodinger.utils.cmdline
)
NAME
(in
schrodinger.application.desmond.enhanced_sampling.mexpParser
)
NEAR_METHOD_NAMEMAP
(in
InteractionTab
)
NOLAUNCH
(in
schrodinger.utils.cmdline
)
name
(in
_FEPIO
)
NEAR_METHOD_NAMEMAP
(in
InteractionTab
)
NOLIMIT
(in
schrodinger.job.queue
)
name
(in
_FFIO
)
nearestIndexToPoint()
(in
Grid3D
)
NOLOCAL
(in
schrodinger.utils.cmdline
)
name
(in
_FFIOVdwtype
)
nearMethodChanged()
(in
InteractionTab
)
NOMM
(in
MopacCalculation
)
name
(in
_OtherBlock
)
nearMethodChanged()
(in
InteractionTab
)
NON_BURIED_DIST
(in
schrodinger.application.bioluminate.surfcomp
)
name
(in
MDPoseAnalysis
)
need_next_arg
(in
schrodinger.application.lid.ligand_interaction_diagram
)
non_default_print_options()
(in
schrodinger.application.jaguar.output
)
NAME
(in
BoxSize
)
needs_system_sqlite()
(in
schrodinger.utils.env
)
non_het_resnames
(in
schrodinger.protein.findhets
)
NAME
(in
E_f
)
needsUpdateFromProjectTable()
(in
sketcher
)
NON_POLAR_RESIDUES
(in
schrodinger.structutils
)
NAME
(in
E_k
)
negative
(in
schrodinger.protein.assignment
)
NON_RETRIABLE_FAILURE
(in
JobStatus
)
NAME
(in
E_x
)
NEGATIVES
(in
schrodinger.structutils.interactions
)
nonbonded_cutoff
(in
Minimizer
)
NAME
(in
Energy
)
NEGATIVES
(in
schrodinger.structutils.interactions.pi
)
NONE
(in
schrodinger.application.bioluminate.pml_menus
)
NAME
(in
Job_Details
)
neighbor()
(in
SimulatedAnnealing
)
NONE
(in
Icons
)
NAME
(in
PotentialEnergy
)
NeighborType
(in
schrodinger.application.matsci.nano.sheet
)
NONE
(in
schrodinger.project
)
NAME
(in
Pressure
)
NETWORK
(in
schrodinger.utils.fileutils
)
NONE
(in
SecondaryStructure
)
NAME
(in
T_0
)
neut_display_update()
(in
ModelSystemPanel
)
NONE_IS_LAST
(in
schrodinger.structutils.sort
)
NAME
(in
Temperature
)
NEUT_NAME
(in
ModelSystem
)
NONPOLAR_HEAVY_ELEMENTS
(in
schrodinger.application.bioluminate.protein
)
NAME
(in
V
)
neut_protein()
(in
_Neut
)
NONPOLAR_RESIDUES
(in
schrodinger.application.bioluminate.protein
)
NAME
(in
AlignCore
)
NEUTRAL_RESIDUES
(in
schrodinger.application.bioluminate.protein
)
norm()
(in
schrodinger.application.desmond.cms
)
NAME
(in
Analysis
)
NEUTRAL_RESIDUES
(in
schrodinger.structutils
)
norm()
(in
schrodinger.application.desmond.mdkey
)
NAME
(in
AssignForcefield
)
new_best()
(in
SimulatedAnnealing
)
normal_res
(in
schrodinger.protein.analysis
)
NAME
(in
BuildGeometry
)
NEW_CONFIG_DIR
(in
schrodinger.application.desmond.mdkey
)
normalize()
(in
Grid3D
)
NAME
(in
CalcDdg
)
new_ifstream()
(in
schrodinger.infra._mmgpgpu
)
normalizeArray2d()
(in
schrodinger.application.lid.lid2d.utils
)
NAME
(in
Concluder
)
new_License()
(in
schrodinger.infra._licensing
)
normalizeArray3d()
(in
schrodinger.application.lid.lid2d.utils
)
NAME
(in
CovMapper
)
new_ofstream()
(in
schrodinger.infra._mmgpgpu
)
NormalMode
(in
schrodinger.application.jaguar.output
)
NAME
(in
DesmondExtend
)
new_page()
(in
schrodinger.application.desmond.report_helper
)
NOT_AROMATIC
(in
schrodinger.structutils.assignbondorders
)
NAME
(in
Extern
)
NEW_STRUCTURE
(in
EditDialog
)
NOT_ASSIGNED
(in
schrodinger.structutils.assignbondorders
)
NAME
(in
FepAnalysis
)
new_SwigDoubleVector()
(in
schrodinger.infra._mmgpgpu
)
NOT_CONTAINS
(in
schrodinger.application.bioluminate.propfilter
)
NAME
(in
FepAnalysis2
)
new_SwigDoubleVector3()
(in
schrodinger.infra._mmgpgpu
)
not_equal
(in
schrodinger.protein.assignment
)
NAME
(in
FepMapper
)
new_SwigIntIntPair()
(in
schrodinger.infra._mmgpgpu
)
NOT_EQUALS
(in
schrodinger.application.bioluminate.propfilter
)
NAME
(in
FepMapperReport
)
new_SwigIntVector()
(in
schrodinger.infra._mmgpgpu
)
NOT_EXISTS
(in
schrodinger.application.bioluminate.propfilter
)
NAME
(in
FepMapping
)
new_SwigStringVector()
(in
schrodinger.infra._mmgpgpu
)
NOT_IN_WORKSPACE
(in
schrodinger.maestro.maestro
)
NAME
(in
FepVrun
)
new_SwigUInt64Vector()
(in
schrodinger.infra._mmgpgpu
)
NOT_IN_WORKSPACE
(in
schrodinger.project
)
NAME
(in
ForcefieldBuilder
)
new_SwigUnsignedIntVector()
(in
schrodinger.infra._mmgpgpu
)
NOT_INCORPORATABLE
(in
schrodinger.maestro.maestro
)
NAME
(in
LambdaHopping
)
new_SwigUnsignedIntVector2()
(in
schrodinger.infra._mmgpgpu
)
NOT_MY_JOB
(in
schrodinger.maestro.maestro
)
NAME
(in
McproSimulate
)
new_SwigVectorIntIntPair()
(in
schrodinger.infra._mmgpgpu
)
NOT_RETAIN_ALL
(in
schrodinger.infra.mm
)
NAME
(in
McproStageBase
)
new_temperature()
(in
SimulatedAnnealing
)
NoteBook
(in
schrodinger.ui.widget.pmwwidget
)
NAME
(in
McproSystemBuilder
)
newaxis
(in
schrodinger.protein.assignment
)
NoteBookButton
(in
schrodinger.ui.widget.tkinterwidget
)
NAME
(in
Minimize
)
newconfigdir
(in
schrodinger.application.desmond.mplchart
)
NotInWorkspaceError
(in
schrodinger.maestro.markers
)
NAME
(in
Multisim
)
NewEntry
(in
schrodinger.application.desmond.maestro
)
noViableAlt()
(in
DFA
)
NAME
(in
PLAnalysis
)
NewEntryGroup
(in
schrodinger.application.desmond.maestro
)
NoViableAltException
(in
schrodinger.application.desmond.antlr3.exceptions
)
NAME
(in
Primer
)
NEWLINE
(in
schrodinger.application.desmond.enhanced_sampling.mexpLexer
)
NPA
(in
schrodinger.infra.mm
)
NAME
(in
ReplicaExchange
)
NEWLINE
(in
schrodinger.application.desmond.enhanced_sampling.mexpParser
)
nparticles()
(in
_FepFrame
)
NAME
(in
Simulate
)
newParticipant()
(in
ReactionMoleculesTab
)
nplus
(in
_BasisSet
)
NAME
(in
SolvatePocket
)
newSet()
(in
AsetFrame
)
nstar
(in
_BasisSet
)
NAME
(in
Stop
)
next()
(in
DEE_Backtracking
)
NSTRUCTS
(in
schrodinger.utils.cmdline
)
NAME
(in
SystemBuilder
)
next()
(in
TokenSource
)
nucrep()
(in
schrodinger.application.jaguar.output
)
NAME
(in
Task
)
next()
(in
CMSReader
)
nucrep_precision
(in
JaguarResults
)
NAME
(in
Trajectory
)
next()
(in
_Step
)
NULL
(in
schrodinger.infra.mm
)
NAME
(in
Trim
)
next()
(in
line_enumerate
)
Null
(in
schrodinger.infra.mm
)
NAME
(in
Vrun
)
next()
(in
SwigPyIterator
)
Null
(in
schrodinger.infra.mmcheck
)
NAME
(in
WaterMap
)
next()
(in
SwigPyIterator
)
Null
(in
schrodinger.infra.mmgpgpu
)
NAME
(in
WaterMapCluster
)
next()
(in
EmptyIterator
)
Null
(in
schrodinger.infra.mmsurf
)
NAME
(in
WaterMapPostAnalysis
)
next()
(in
MaestroReader
)
null()
(in
ProteinStructureQualityViewer
)
NAME
(in
DesmondTyper
)
next()
(in
MaestroReaderWithPositions
)
NULL_GROUP
(in
schrodinger.application.canvas.r_group
)
NAME
(in
McproTyper
)
next()
(in
MaestroTextReader
)
NULL_LINKER
(in
schrodinger.application.combiglide.combenumdock
)
NAME
(in
TyperBase
)
next()
(in
Mol2Reader
)
NUM
(in
FullColumns
)
NAME
(in
WatermapTyper
)
next()
(in
MultiFileStructureReader
)
NUM
(in
SplitColumns
)
name
(in
_BasisSet
)
next()
(in
PDBReader
)
num
(in
schrodinger.structutils.minimize
)
NAME
(in
BaseTab
)
next()
(in
SDReader
)
Num_aliphatic_rings()
(in
schrodinger.utils.ligfilter
)
NAME
(in
InputTabBase
)
next()
(in
SmilesCsvReader
)
num_args
(in
schrodinger.application.desmond.predict_remd_temp
)
NAME
(in
IrcTab
)
next()
(in
SmilesReader
)
Num_aromatic_rings()
(in
schrodinger.utils.ligfilter
)
NAME
(in
MoleculeTabBase
)
next()
(in
StructureReader
)
Num_atoms()
(in
schrodinger.utils.ligfilter
)
NAME
(in
OptimizationTab
)
next()
(in
MultiFileReader
)
num_basis_functions()
(in
schrodinger.application.jaguar.gui.basis_selector
)
NAME
(in
OutputTab
)
next()
(in
SwigPyIterator
)
NUM_BITS_PER_RESIDUE
(in
StructuralInteractionFingerprintGenerator
)
NAME
(in
PropertiesTabBase
)
next()
(in
SwigPyIterator
)
Num_chiral_centers()
(in
schrodinger.utils.ligfilter
)
NAME
(in
ReactionMoleculesTab
)
next_prime()
(in
schrodinger.application.desmond.autopartition
)
NUM_COLS
(in
SelectedEntriesColumns
)
NAME
(in
ReactionPropertiesTab
)
nextafter
(in
schrodinger.protein.assignment
)
NUM_COLS
(in
SelectedEntriesColumnsHB
)
NAME
(in
ReactionTab
)
nextBranch()
(in
AddNeighborGroups
)
NUM_COLS
(in
SelectedEntriesColumnsPka
)
NAME
(in
ScanTab
)
nextChar()
(in
_MySplit
)
NUM_COLS
(in
ConstraintCoordinateColumns
)
NAME
(in
ScfTab
)
nextMessage()
(in
_Backend
)
NUM_COLS
(in
ScanCoordinateColumns
)
NAME
(in
SolvationTab
)
nextNode()
(in
RewriteRuleNodeStream
)
NUM_CONSTRAINT
(in
Constraint
)
name
(in
Solvent
)
nextNode()
(in
RewriteRuleSubtreeStream
)
num_constraint()
(in
Constraint
)
NAME
(in
SolventTab
)
nextNode()
(in
RewriteRuleTokenStream
)
num_cpu()
(in
schrodinger.application.desmond.config
)
NAME
(in
TheoryTab
)
nextOutFile()
(in
PostLigPrepStage
)
NUM_EQUIV_SETS
(in
HoneycombUnitCell
)
NAME
(in
TransitionStateTab
)
nextToken()
(in
Lexer
)
num_functions()
(in
schrodinger.application.jaguar.basis
)
name
(in
JaguarInput
)
nextToken()
(in
TokenSource
)
Num_heavy_atoms()
(in
schrodinger.utils.ligfilter
)
name
(in
EntryGroup
)
nextToken()
(in
RewriteRuleTokenStream
)
Num_heteroaromatic_rings()
(in
schrodinger.utils.ligfilter
)
name
(in
_Chain
)
nextToken()
(in
TreePatternLexer
)
num_lambda_window()
(in
schrodinger.application.desmond.config
)
name
(in
_StructureAtom
)
nextTree()
(in
RewriteRuleElementStream
)
num_lambda_window()
(in
schrodinger.application.desmond.gconfig
)
name
(in
_SysInfo
)
NFLEXRATOMPROPS
(in
schrodinger.infra.mm
)
Num_molecules()
(in
schrodinger.utils.ligfilter
)
name
(in
_FFVdwtype
)
NFLEXRCTPROPS
(in
schrodinger.infra.mm
)
Num_negative_atoms()
(in
schrodinger.utils.ligfilter
)
name1
(in
_FFIOVdwtypescombined
)
nfrzmm()
(in
schrodinger.application.qsite.output
)
Num_positive_atoms()
(in
schrodinger.utils.ligfilter
)
name2
(in
_FFIOVdwtypescombined
)
nhcaps()
(in
schrodinger.application.qsite.output
)
num_replica()
(in
schrodinger.application.desmond.config
)
nameContextCallback()
(in
SimplifiedSequenceViewer
)
NICE
(in
schrodinger.utils.cmdline
)
Num_residues()
(in
schrodinger.utils.ligfilter
)
NAMES
(in
FullColumns
)
nil()
(in
DebugTreeAdaptor
)
num_retry()
(in
RetryTimer
)
NAMES
(in
ConstraintCoordinateColumns
)
nil()
(in
BaseTreeAdaptor
)
Num_rings()
(in
schrodinger.utils.ligfilter
)
NAMES
(in
ScanCoordinateColumns
)
nil()
(in
TreeAdaptor
)
Num_rotatable_bonds()
(in
schrodinger.utils.ligfilter
)
NAN
(in
schrodinger.protein.assignment
)
nilNode()
(in
DebugEventListener
)
NUM_ROWS
(in
schrodinger.application.jaguar.gui.tabs.properties_tab
)
NaN
(in
schrodinger.protein.assignment
)
nilNode()
(in
DebugEventSocketProxy
)
NUM_SCALING
(in
VibrationalSubTab
)
nan
(in
schrodinger.protein.assignment
)
nilNode()
(in
TraceDebugEventListener
)
NUM_SELECTED_ENTRIES_ROLE
(in
schrodinger.application.jaguar.gui.input_tab_widgets
)
nano
(in
schrodinger.application.matsci
)
NINDEX
(in
Constants
)
NUM_SYM_ATOMS
(in
HoneycombUnitCell
)
NanoSheet
(in
schrodinger.application.matsci.nano.tube
)
NINDEX
(in
NanoTube
)
num_temp
(in
schrodinger.application.desmond.predict_remd_temp
)
NanoSheets
(in
schrodinger.application.matsci.nano.sheet
)
NINF
(in
schrodinger.protein.assignment
)
num_wildcard()
(in
Atom
)
NanoTube
(in
schrodinger.application.matsci.nano.tube
)
NJOBS
(in
schrodinger.application.macromodel.paraUtils
)
NUMATOMS
(in
HoneycombUnitCell
)
NanoTubes
(in
schrodinger.application.matsci.nano.tube
)
NJOBS
(in
schrodinger.utils.cmdline
)
number
(in
_Molecule
)
NanoTubeSheet
(in
schrodinger.application.matsci.nano.tube
)
nmr_precision
(in
JaguarAtomicResults
)
number_by_entry
(in
_StructureAtom
)
navbar
(in
schrodinger.application.desmond.guide
)
NMR_ROW
(in
schrodinger.application.jaguar.gui.tabs.properties_tab
)
number_by_molecule
(in
_StructureAtom
)
navbar
(in
schrodinger.application.mcpro.guide
)
NO_DOUBLE_BONDS
(in
Constants
)
NUMBER_OPS
(in
schrodinger.application.bioluminate.propfilter
)
navbar_cmd_chop()
(in
ModelSystemPanel
)
NO_EXECUTION
(in
schrodinger.application.macromodel.paraUtils
)
number_regexs
(in
schrodinger.infra.propedit
)
navbar_cmd_flex()
(in
ModelSystemPanel
)
NO_FILL
(in
_Class
)
number_REs
(in
schrodinger.infra.propedit
)
navbar_cmd_monitor()
(in
ModelSystemPanel
)
no_gpgpu_warning
(in
DesmondGuiConfigDialog
)
NumberedCanvas
(in
schrodinger.application.desmond.report_helper
)
navbar_cmd_neut()
(in
ModelSystemPanel
)
no_gpgpu_warning
(in
DesmondGuiConfigDialog
)
numChoices()
(in
DEE_EnergyMatrix
)
navbar_toggle()
(in
ModelSystemPanel
)
NO_HEAVY_ATOM_MATCH
(in
schrodinger.application.canvas.r_group
)
numd
(in
_BasisSet
)
nb_cutoff()
(in
schrodinger.application.qsite.output
)
NO_HUNT
(in
_mmutil'
)
NUMDECIMAL
(in
NanoTube
)
nb_update()
(in
schrodinger.application.qsite.output
)
NO_HUNT
(in
schrodinger.utils.mmutil
)
numeric_prop_RE
(in
schrodinger.infra.propedit
)
nbasis()
(in
schrodinger.application.jaguar.output
)
NO_HYDROGENS
(in
schrodinger.infra.mm
)
numerical_freqs()
(in
schrodinger.application.jaguar.output
)
NBILAYERS
(in
Constants
)
NO_ISOMER
(in
schrodinger.application.matsci.buildcomplex
)
NumericalDatabaseCriterion
(in
schrodinger.application.bioluminate.propfilter
)
NBO_ROW
(in
schrodinger.application.jaguar.gui.tabs.properties_tab
)
NO_MATCHES
(in
schrodinger.application.canvas.r_group
)
NumericLineEdit
(in
schrodinger.application.bioluminate.bwidgets
)
nbytes
(in
schrodinger.protein.assignment
)
no_next_arg
(in
schrodinger.application.lid.ligand_interaction_diagram
)
numf
(in
_BasisSet
)
NC
(in
schrodinger.application.macromodel.paraUtils
)
NO_OPTIONS_PROPS
(in
schrodinger.application.jaguar.gui.tabs.properties_tab
)
numGroupsChanged()
(in
EnsembleTab
)
NCELL1
(in
Constants
)
NO_OS
(in
schrodinger.utils.preferences
)
numGroupsChanged()
(in
EnsembleTab
)
NCELL1
(in
HoneycombLattice
)
NO_SPECIFIC_ISOTOPE
(in
schrodinger.structure
)
numHeavyAtoms()
(in
WriteInputs
)
NCELL2
(in
Constants
)
no_stack()
(in
schrodinger.application.jaguar
)
numPos()
(in
DEE_EnergyMatrix
)
NCELL2
(in
HoneycombLattice
)
NO_STEREO
(in
schrodinger.structure
)
NWALLS
(in
Constants
)
NCELLS
(in
Constants
)
NO_TYPE
(in
schrodinger.utils.preferences
)
NWALLS
(in
MultiWalledNanoTube
)
NCELLS
(in
NanoTube
)
noautofit_call()
(in
schrodinger.application.desmond.maestro
)
NZERO
(in
schrodinger.protein.assignment
)
ncl
(in
schrodinger.application.lid.lid2d.draw
)
Node
(in
schrodinger.application.desmond.enhsamp
)
nconmm()
(in
schrodinger.application.qsite.output
)
Node
(in
schrodinger.application.desmond.reorder_atom
)
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Help
2014-2 Schrodinger Python API
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