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.