NAME

       cif_cell_contents   -   calculate   cell  contents  from  atom  coordinates  and  symmetry
       information.

SYNOPSIS

       cif_cell_contents --options input1.cif input*.cif

DESCRIPTION

       Calculate cell contents from atom coordinates and symmetry information.

OPTIONS

       -c, --continue-on-errors
                         Keep processing subsequent data blocks even if one data
                         block had fatal processing errors.

       -c-, --die-on-errors, --no-continue-on-errors,

       --dont-continue-on-errors, --do-not-continue-on-errors
                         Terminate script immediately if some data block could
                         not be processed (default).

       --continue-on-warnings
                         Do not terminate script if warnings are raised (default)

       --die-on-warnings
                         Terminate script immediately if warnings are raised

       --continue-on-notes
                         Do not terminate script if notes are raised (default)

       --die-on-notes
                         Terminate script immediately if notes are raised

       -Z, --cell-formula-units-Z  1
                         Specify number of formula sum units in the unit cell.
                         Default: taken from the input CIF if present, otherwise
                         assumed to be 1.

       --use-attached-hydrogens
                         Include number of implicit hydrogens, specified using
                         _atom_site_attached_hydrogens tag, into the formula
                         sum (default).

       --no-use-attached-hydrogens,

       --dont-use-attached-hydrogens,

       --ignore-attached-hydrogens
                         Ignore number of implicit hydrogens, specified using
                         _atom_site_attached_hydrogens tag, in calculation of
                         the formula sum.

       --assume-full-occupancies
                         Assume that all atoms have full (1.0) occupancies.

       --no-assume-full-occupancies,

       --dont-assume-full-occupancies,

       --use-original-occupancies
                         Use original atom site occupancies, as given in CIF file
                         (default).

       --print-datablock-name
                         Print data block name, tab-separated, before each formula.

       --no-print-datablock-name,

       --dont-print-datablock-name,

       --do-not-print-datablock-name
                         Do not print data block name (default).

       --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 cif_cell_contents bugs using e-mail: cod-bugs@ibt.lt

                                                                             CIF_CELL_CONTENTS(1)