Convert a CIF file to XYZ format.
CIFtoXYZ(1) Manual Page
Name
CIFtoXYZ - Convert a CIF file to XYZ format.
Synopsis
CIFtoXYZ [-hV] [--ca] [--fl] [--sc] [--bt=0.2] [--name=<sgName>] [--sg=-1] [--zp=-1] files…
Description
Options
- --bt, --bondTolerance=0.2
-
Tolerance added to covalent radius to determine if atoms should be bonded.
- --ca, --cifAppend
-
Append structures.
- --fl, --fixLattice
-
Override CIF parameters to satisfy lattice conditions (Otherwise error).
- -h, --help
-
Print command help and exit.
- --name, --spaceGroupName=<sgName>
-
Override the CIF space group.
- --sc, --saveCIF
-
Attempt to save file in CIF format (input(s) in XYZ format).
- --sg, --spaceGroupNumber=-1
-
Override the CIF space group.
- -V, --version
-
Print the Force Field X version and exit.
- --zp, --zPrime=-1
-
Specify Z' when writing a CIF file.
Arguments
- files…
-
A CIF file and an XYZ file (already parameterized) containing one of each molecule from the CIF.