.TH CIF_CELL_CONTENTS 1
.SH NAME
cif_cell_contents \- calculate cell contents from atom coordinates and symmetry information.

.SH SYNOPSIS
cif_cell_contents \-\-options input1.cif input*.cif

.SH DESCRIPTION
Calculate cell contents from atom coordinates and symmetry information.

.SH 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.

.SH "REPORTING BUGS"
Report cif_cell_contents bugs using e\-mail: cod\-bugs@ibt.lt