Module chooseligand

Classes

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ChooseLigandModel

ChooseLigandDialog

TestApp
Class for testing this module.

Functions

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choose_ligand(parent, complex_st)
Given a Structure object and a parent window, ask the user to select a ligand from the complex (if more than one is available).

test()

Variables

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maestro = None
hash(x)

__package__ = 'schrodinger.ui'

Function Details

[hide private]

choose_ligand(parent, complex_st)

Given a Structure object and a parent window, ask the user to select a ligand from the complex (if more than one is available).

If no ligands are present, ValueError is raised.

If only one ligand was present, the Ligand instance for it is returned.

If the user selected a ligand, the Ligand instance for that ligand is returned (See schrodinger.structutils.analyze.Ligand)

If the user cancelled the dialog, None is returned.