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cif2xyz - read CIF files and print atom coordinates in XYZ format. The default output format is as

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.

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.

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.ltCIF2XYZ(1)

Synopsis

       cif2xyz --options input.cif

See Also