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

FEP+ solubility command line UI

Copyright Schrodinger, LLC. All rights reserved.

class schrodinger.application.desmond.starter.ui.mxmd.MxmdArgs(opt: argparse.Namespace, inp_file: str = None)

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

validate()

Validate the parameters for missing files.

Raises:SystemExit – 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.