schrodinger.application.desmond.starter.ui.mxmd module

Mixed Solvent MD command line UI

Copyright Schrodinger, LLC. All rights reserved.

class schrodinger.application.desmond.starter.ui.mxmd.MxmdArgs(opt: argparse.Namespace)

Bases: schrodinger.application.desmond.starter.ui.cmdline.BaseArgs

__init__(opt: argparse.Namespace)

Parameters

opt – Command line options with corresponding values.

validate() → List[str]

Validate the parameters for Mixed Solvent MD command line UI

Returns

a list of error messages for invalid parameters

schrodinger.application.desmond.starter.ui.mxmd.ui(argv: List[str]) → schrodinger.application.desmond.starter.ui.mxmd.MxmdArgs

Parse the arguments and return an object containing the values.