Save a PDB file that includes all titrating tautomer hydrogen atoms.
test.SaveAsConstantPhPDB(1) Manual Page
Name
test.SaveAsConstantPhPDB - Save a PDB file that includes all titrating tautomer hydrogen atoms.
Synopsis
test.SaveAsConstantPhPDB [-hV] [--rt] file
Description
Options
- -h, --help
-
Print command help and exit.
- --rt, --rotamerTitration
-
Prepare PDB for rotamer optimization with titration states.
- -V, --version
-
Print the Force Field X version and exit.
Arguments
- file
-
The atomic coordinate file in PDB format.