hit_expander.py canvasfp Command Help

Command: $SCHRODINGER/run hit_expander.py canvasfp

usage: $SCHRODINGER/run hit_expander.py canvasfp [-h] -m <path> -e <path> -f
                                                 <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>, --maccs <path>
                        Canvas FP file with MACCS fingerprints for the ligands
                        (canvasFPGen -fptype maccs).
  -e <path>, --dendritic <path>
                        Canvas FP file holding dendritic/daylight fingerprints
                        for the ligands (canvasFPGen -fptype dendritic
                        -atomtype 10).
  -f <path>, --fdendritic <path>
                        Canvas FP file holding dendritic/functional
                        fingerprints for the ligands (canvasFPGen -fptype
                        dendritic -atomtype 4).