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SaveAsXYZ(1) Manual Page

Name

SaveAsXYZ - Save the system as an XYZ file.

Synopsis

SaveAsXYZ [-chV] [-n=0] [-p=0] [-r=X] [--wS=0] file

Description

Save the system as an XYZ file.

Options

-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.