Package schrodinger :: Package pipeline :: Package stages :: Module semiemp

Module semiemp


Stage for running semi-empirical jobs.

Input structure file - maestro file of one or more ligands (it does not
                       yet have an QM/MM mode for processing complexes).

Copyright Schrodinger, LLC. All rights reserved.

Classes

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SemiEmpStage
Stage for running semi-empirical jobs.

Variables

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__doc__ = ...

STATUS_NOT_STARTED = 'NOT STARTED'

STATUS_PREPARING_INPUTS = 'PREPARING INPUT FILES'

STATUS_SETTING_UP = 'SETTING UP JOBS'

STATUS_RUNNING_JOBS = 'RUNNING JOBS'

STATUS_PROCESSING_FILES = 'PROCESSING FILES'

STATUS_COMPLETE = 'COMPLETE'

__package__ = 'schrodinger.pipeline.stages'

Variables Details

[hide private]

doc

Value:

"""
Stage for running semi-empirical jobs.

Input structure file - maestro file of one or more ligands (it does no
t
                       yet have an QM/MM mode for processing complexes
).

...