Apply a set of torsions to a system.
test.ApplyTorsions(1) Manual Page
Name
test.ApplyTorsions - Apply a set of torsions to a system.
Synopsis
test.ApplyTorsions [-hV] [-c=<chain>] [-n=1] [-r=1] [-v=<vidFileName>] [-t=0,0: _ 180,0_[:_0,0:180,0_…]…]… files…
Description
Options
- -c, --chain=<chain>
-
Single character chain name (default is " ").
- -h, --help
-
Print command help and exit.
- -n, --nChi=1
-
Number of torsions (unspecified torsions are filled with 0).
- -r, --resID=1
-
Residue number.
- -t, --torsionSets=0,0:180,0[:_0,0:180,0_…]…
-
Torsion sets to apply (torsions comma-separated, sets colon-separated).
- -v, --videoFile=<vidFileName>
-
File to print torsion snapshots to.
- -V, --version
-
Print the Force Field X version and exit.
Arguments
- files…
-
XYZ or PDB input files.