Package schrodinger :: Package pipeline :: Package stages :: Module gencodes

Module gencodes

Stage for generating and storing codes for ligands/compounds and variants.

It also recombined input ligands into a number of subjobs specified via -NJOBS argument (If -adjust is used, this number is also adjusted based on the MIN_SUBJOB_STS and MAX_SUBJOB_STS keywords.

Classes

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RecombineStage
Stage for generating compound and variant codes, which are stored as properties.

RestoreTitlesStage
Stage for copying titles for each input ligand from the 's_pipeline_title_backup' property to the 's_m_title' property.

Functions

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_get_reader(filename, astext=False)
Return a StructureReader object for reading the file Ev:62575 Returns SDReader for files of unknown extension Returns a MaestroTextReader instance if specified file is a Maestro file and astext is True (Ev:61545)

Variables

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__doc__ = ...

__package__ = 'schrodinger.pipeline.stages'

Variables Details

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doc

Value:

"""
Stage for generating and storing codes for ligands/compounds and varia
nts.

It also recombined input ligands into a number of subjobs specified vi
a -NJOBS
argument (If -adjust is used, this number is also adjusted based on th
e
...