schrodinger.application.glide.gui module

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

Copyright Schrodinger, LLC. All rights reserved.

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.

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).

clear()

Remove all added labels.

hide()

Hide the markers from the Workspace.

hideLabels()

Disable labels.

setLabelsVisible(visible)

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

setVisible(visible)

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

show()

Show the markers in the Workspace.

showLabels()

Enable labels.

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.