NAME

       cif2xyz  -  read  CIF  files  and print atom coordinates in XYZ format. The default output
       format is as described in https://en.wikipedia.org/wiki/XYZ_file_format.

SYNOPSIS

       cif2xyz --options input.cif

DESCRIPTION

       Read CIF files and print atom coordinates in XYZ format.  The default output format is  as
       described in https://en.wikipedia.org/wiki/XYZ_file_format.

OPTIONS

       -f, --float-format "%21.14e"
                       Specify format for floating point output.
                       For Perl, a usual "printf" format can be given.

       -H, --human-readable
                        Use format "%15.6f" for better human readability.

       -M, --machine-readable
                        Use format "%21.14e" to maintain precision. Default.

       --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.

       --no-add-xyz-header,

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

       --dont-add-xyz-header
                         Do not add the total number of atoms on the first line.

       --print-lattice
                         Print LATTICE: keyword with the a, b, c lattice vectors
                         in the same orthogonal frame as the coordinates. Default.

       --no-print-lattice,

       --no-lattice,

       --do-not-print-lattice,

       --dont-print-lattice,
                         Do not print lattice information in the comment line.

       --print-datablock-name

       --print-formula-sum

       --print-chemical-name
                         These options, and their corresponding negated
                         counterparts, control whether the corresponding data
                         item should be printed in the comment line.

       --no-print-datablock-name, --do-not-print-datablock-name,

       --dont-print-datablock-name, --do-not-print-chemical-name,

       --no-print-chemical-name, --dont-print-chemical-name,

       --no-print-formula-sum, --do-not-print-formula-sum,

       --dont-print-formula-sum, --no-datablock-name,

       --no-chemical-name, --no-formula-sum
                         Switch off the corresponding print options.

       --use-perl-parser
                         Use Perl parser to parse CIF files.

       --use-c-parser
                         Use C parser to parse CIF files. 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

                                                                                       CIF2XYZ(1)