NAME¶

cif2xyz - read CIF files and print atom coordinates in XYZ format.

SYNOPSIS¶

cif2xyz --options input.cif

DESCRIPTION¶

Read CIF files and print atom coordinates in XYZ format.

OPTIONS¶

--print-radii
Append covalent radii to the atom coordinates.

--no-print-radii, --dont-print-radii, --xyz-only
Print only Cartesian XYZ coordinates for input atoms
(default).

--add-xyz-header
Add the total number of atoms on the first line of
the output, followed by an empty line (default).

--do-not-add-xyz-header,

--dont-add-xyz-header,

--no-add-xyz-header
Do not add the total number of atoms on the first line.

--use-perl-parser

--use-c-parser
Specify parser to parse CIF files (default: C parser).

--help, --usage
Output a short usage message (this message) and exit.

--version
Output version information and exit.

REPORTING BUGS¶

Report cif2xyz bugs using e-mail: cod-bugs@ibt.lt