Package schrodinger :: Package pipeline :: Package stages :: Module pull

Module pull

A stage for extracting a subset of ligands/compounds.

The Pull stage identifies a subset of compounds from one set of ligand structures, and extracts all variants of those compounds from a second set of ligand structures.

Classes

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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.

Functions

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_get_reader(filename, astext=False)
Returns a MaestroTextReader instance if specified file is a Maestro file; returns a StructureReader instance otherwize.

Variables

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__doc__ = ...

_version = '$Revision: 1.33 $'

__package__ = 'schrodinger.pipeline.stages'

Function Details

[hide private]

_get_reader(filename, astext=False)

Returns a MaestroTextReader instance if specified file is a Maestro file; returns a StructureReader instance otherwize. Ev:61545

Variables Details

[hide private]

doc

Value:

"""
A stage for extracting a subset of ligands/compounds.

The Pull stage identifies a subset of compounds from one set of ligand
structures, and extracts all variants of those compounds from a second
 set of
ligand structures.

...