Package pipeline

Modules for the Pipeline mechanism used by VSW & QPLD.

Submodules

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schrodinger.pipeline.compiled_functions: Code for pipeline that should only be distibuted in compiled form.
schrodinger.pipeline.input: Classes for writing Pipeline input files.
schrodinger.pipeline.pipeio: Core Pipeline I/O classes (Structures, Grid, and Text, and PhaseDB).
schrodinger.pipeline.pipeline: Classes for running pipelines.
schrodinger.pipeline.pipeutils: Shared functions for Pipeline stages.
schrodinger.pipeline.stage: Base classes for Pipeline stages.
schrodinger.pipeline.stages: Pipeline stage modules used by VSW and QPLD.
- schrodinger.pipeline.stages.canvas: This module contains stages for running Canvas calculations.
- schrodinger.pipeline.stages.combine: Core stages for Pipeline mechanism.
- schrodinger.pipeline.stages.convert: Stage for converting structure files from one format to another.
- schrodinger.pipeline.stages.example
- schrodinger.pipeline.stages.filtering: Stages related to filtering structures.
- schrodinger.pipeline.stages.gencodes: Stage for generating and storing codes for ligands/compounds and variants.
- schrodinger.pipeline.stages.glide: Glide Docking & Gridgen stages.
- schrodinger.pipeline.stages.ligprep: Stages for running LigPrep.
- schrodinger.pipeline.stages.macromodel: Stages for running MacroModel jobs.
- schrodinger.pipeline.stages.phase: Stages for running Phase jobs.
- schrodinger.pipeline.stages.prime: A stage for running Prime jobs.
- schrodinger.pipeline.stages.pull: A stage for extracting a subset of ligands/compounds.
- schrodinger.pipeline.stages.qikprop: A stage for running QikProp jobs.
- schrodinger.pipeline.stages.qsite: A stage for running QSite jobs.
- schrodinger.pipeline.stages.rmsd: A stage for calculating RMSDs for structures in two sets.
- schrodinger.pipeline.stages.semiemp: Stage for running semi-empirical jobs.

Variables

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__doc__ = ...

_version = '$Revision: 1.9 $'

__package__ = None
hash(x)

Variables Details

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doc

Value:

"""
Modules for the Pipeline mechanism used by VSW & QPLD.

Copyright Schrodinger, LLC. All rights reserved.

"""