Synopsis

test.ApplyTorsions [-hV] [-c=<chain>] [-n=1] [-r=1] [-v=<vidFileName>] [-t=0,0: _ 180,0_[:_0,0:180,0_…​]…​]…​ files…​

Description

Apply a set of torsions to a system.

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.