applyhtreat Command Help
Command: $SCHRODINGER/utilities/applyhtreat
Usage: applyhtreat applyhtreat.py input_file output_file [options]
Supported input formats: Maestro, SD, Mol2, or PDB.
Supported output formats: Maestro, SD, Mol2, PDB or SMILES.
Allowed treatment names for -treatment(-t) option are:
"All-atom with Osp3/Nsp3-Lp"
"All-atom with No-Lp"
"Csp3 United-atom with S-Lp"
"Csp3 United-atom with No-Lp"
"All-atom with S-Lp"
"C sp2/sp3 United-atom with No-Lp"
"C sp2/sp3, N,O,S United-atom with No-Lp"
Options:
-v, -version Show the program's version and exit.
-h, -help Show this help message and exit.
-t TREATMENT, -treatment TREATMENT
Name of the treatment to use (Default is "All-atom
with No-Lp").
-a ASL, -asl ASL Restrict htreatment to atoms matching the ASL
expression (default all atoms).
-s, -use_stereo Adjust atom numbers in chirality strings (default
off).