Save the system as an XYZ file.
SaveAsXYZ(1) Manual Page
Name
SaveAsXYZ - Save the system as an XYZ file.
Synopsis
SaveAsXYZ [-chV] [--alt=A] [-n=0] [-p=0] [-r=X] [--wS=0] file
Description
Options
- --alt, --alternateLocation=A
-
Choose an alternate location for the PDB file (not supported for PDBs with multiple models.
- -c, --constrain
-
Apply geometric constraints before saving.
- -h, --help
-
Print command help and exit.
- -n, --neg-offset=0
-
Negative offset of atom types in the new file.
- -p, --pos-offset=0
-
Positive offset of atom types in the new file
- -r, --random=X
-
Apply a random Cartesian SymOp with translation range -X .. X.
- -V, --version
-
Print the Force Field X version and exit.
- --wS, --writeSnapshot=0
-
Write out a specific snapshot.
Arguments
- file
-
The atomic coordinate file PDB format.