Package schrodinger :: Package pipeline :: Package stages :: Module combine

Module combine


Core stages for Pipeline mechanism.

CombineStage
  Stage for combining multiple structure PipeIO sets into one PipeIO set
  and labelling each ligand by the input set from which it came.

GenerateCovalentComplexesStage
  Stage that takes a receptor structure and ligands and generates complexes.
  Used by Prime Covalent Docking.

Copyright Schrodinger, LLC. All rights reserved.

Classes

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CombineStage
Stage for combining multiple Structures objects into one.

GenerateCovalentComplexesStage
Stage for combining specified receptor with specified ligands via covalent bond to form complexes.

Functions

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get_atom_str(atom)
Return a print-out string for the atom.

Variables

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__doc__ = ...

_version = '$Revision: 1.35 $'

__package__ = 'schrodinger.pipeline.stages'

Variables Details

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doc

Value:

"""
Core stages for Pipeline mechanism.

CombineStage
  Stage for combining multiple structure PipeIO sets into one PipeIO s
et
  and labelling each ligand by the input set from which it came.

...