hit_expander.py multifp Command Help

Command: $SCHRODINGER/run hit_expander.py multifp

usage: $SCHRODINGER/run hit_expander.py multifp [-h] -m <path>
                                                ligands infile outfile

positional arguments:
  ligands               Ligand structures file in Maestro/SD/SMILES format.
  infile                Name of the structure file containing the hits to be
                        "expanded" (in Maestro/SD/SMILES format).
  outfile               Name of the output structure file.

options:
  -h, --help            show this help message and exit
  -m <path>, --multifp <path>
                        Name of the multi-fingerprint file containing MACCS,
                        dendritic, and fdendritic fingerprints for the
                        ligands. If non-existent file is specified, the file
                        will be created (in working directory).