---
name: "cif_cell_contents"
section: "1"
platform: "linux"
package: "cod-tools"
version: "3.11.0+dfsg-1"
release: "Debian 13 (Trixie)"
platforms: ["linux"]
url: "https://new.carta.tech/cif_cell_contents"
---

# cif\_cell\_contents(1)

calculate cell contents from atom coordinates and symmetry information.

## 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