Package schrodinger :: Package pipeline :: Package stages :: Module prime

Module prime

A stage for running Prime jobs.

Classes

PrimeStage
Prime Active Site Optimization stage: Performs the familiar sidechain prediction plus minimization, used by IFD jobs.

MMGBSAStage
Stage for running Prime MM-GBSA on input structures.

Variables

__doc__ = ...

_version = '$Revision: 1.17 $'

__package__ = 'schrodinger.pipeline.stages'

Variables Details

Value:

"""
A stage for running Prime jobs.

Copyright Schrodinger, LLC. All rights reserved.

"""