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cif2xyz() cif2xyz()

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.

--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 (default).

--use-perl-parser

--use-c-parser Specify parser to parse CIF files. C parser is default.

--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