clear_multisim_properties.py Command Help

Command: $SCHRODINGER/run -FROM scisol clear_multisim_properties.py

usage: clear_multisim_properties.py [-h] [-out OUT_PATH] in_path

This script is meant to be used to remove properties from input files prior to
a multisim calculation. The properties that this script removes are mostly meant
to be used internally by the workflow, so invalid property values on input
structures may cause problems during the calculation.

Note that some properties removed by this script may still provide functionality
elsewhere in the Schrödinger suite, so only run this script on files meant to be
used solely as input for a multisim calculation.

To modify a file in-place, only supply the input file path:
    $SCHRODINGER/run clear_multisim_properties.py file.mae

To create a new file with structures removed, also include the -out argument:
    $SCHRODINGER/run clear_multisim_properties.py file.mae -out processed_file.mae

Note that this script can accept structure file and .fmp inputs, but structure
file inputs cannot be converted to .fmp files by this script (and vice versa).
Consequently, if the input argument designates a .fmp file, then the output
argument must also designate a .fmp file (if provided). Likewise if the input
argument designates a non-.fmp file.

Copyright Schrödinger, LLC. All rights reserved.

positional arguments:
  in_path        A structure file or .fmp file from which multisim-related properties should be cleared in order to prepare input for a new workflow.

options:
  -h, --help     show this help message and exit
  -out OUT_PATH  Optionally, a path to which the output structure file or .fmp file should be saved after clearing properties. If this argument is not provided, the input file will be overwritten.