Package schrodinger :: Package pipeline :: Package stages :: Module semiemp
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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 [hide private]
  SemiEmpStage
Stage for running semi-empirical jobs.
Variables [hide private]
  __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\
). 

...