schrodinger.application.glide.gui module

Classes and functions that are shared between the Glide GridGen and Docking panels.

Copyright Schrodinger, LLC. All rights reserved.

schrodinger.application.glide.gui.find_equivalent_atoms(st, anum)

Given a structure atom, return a list of atoms that are identical to it. If no identical atoms are found, and empty list is returned.

class schrodinger.application.glide.gui.GlideWorkspaceMarkers

Bases: object

Class for marking constraints and excluded volumes in the Workspace. Along with the marker, optional labels are also drawn.

__init__()

Initialize self. See help(type(self)) for accurate signature.

__del__()

clear()

Remove all added labels.

add(center=None, radius=None, atom=None, color=None, name=None, opacity=0.8)

Add another marker to draw.

Either center and radius need to be specified (to draw a sphere) or an atom object (to draw atom markers).

show()

Show the markers in the Workspace.

hide()

Hide the markers from the Workspace.

setVisible(visible)

Show the markers if “visible” is True, hide otherwise.

showLabels()

Enable labels.

hideLabels()

Disable labels.

setLabelsVisible(visible)

Show the labels if “visible” is True, hide otherwise.

__class__

alias of builtins.type

__delattr__

Implement delattr(self, name).

__dict__ = mappingproxy({'__module__': 'schrodinger.application.glide.gui', '__doc__': '\n Class for marking constraints and excluded volumes in the Workspace. Along\n with the marker, optional labels are also drawn.\n ', '__init__': <function GlideWorkspaceMarkers.__init__>, '__del__': <function GlideWorkspaceMarkers.__del__>, 'clear': <function GlideWorkspaceMarkers.clear>, 'add': <function GlideWorkspaceMarkers.add>, 'show': <function GlideWorkspaceMarkers.show>, 'hide': <function GlideWorkspaceMarkers.hide>, 'setVisible': <function GlideWorkspaceMarkers.setVisible>, 'showLabels': <function GlideWorkspaceMarkers.showLabels>, 'hideLabels': <function GlideWorkspaceMarkers.hideLabels>, 'setLabelsVisible': <function GlideWorkspaceMarkers.setLabelsVisible>, '__dict__': <attribute '__dict__' of 'GlideWorkspaceMarkers' objects>, '__weakref__': <attribute '__weakref__' of 'GlideWorkspaceMarkers' objects>})

__dir__() → list

default dir() implementation

__eq__

Return self==value.

__format__()

default object formatter

__ge__

Return self>=value.

__getattribute__

Return getattr(self, name).

__gt__

Return self>value.

__hash__

Return hash(self).

__init_subclass__()

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__le__

Return self<=value.

__lt__

Return self<value.

__module__ = 'schrodinger.application.glide.gui'

__ne__

Return self!=value.

__new__()

Create and return a new object. See help(type) for accurate signature.

__reduce__()

helper for pickle

__reduce_ex__()

helper for pickle

__repr__

Return repr(self).

__setattr__

Implement setattr(self, name, value).

__sizeof__() → int

size of object in memory, in bytes

__str__

Return str(self).

__subclasshook__()

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

__weakref__

list of weak references to the object (if defined)