---
name: "cif_Fcalc"
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_Fcalc"
---

# cif\_Fcalc(1)

compute the structure factors from CIF files.

## NAME

cif\_Fcalc - compute the structure factors from CIF files.

## SYNOPSIS

cif\_Fcalc --options input1.cif input\*.cif

## DESCRIPTION

Compute the structure factors from CIF files.

## OPTIONS

\--max-Fhkl-number\
                   Selection of sorted (numerically and Friedel's law)\
                   Fhkl number.

\--external\_CR\_table\
                   Use Cromer Mann coefficients from external\
                   source: table 6.1.1.4.

\--max-resolution\
                   Selection of resolution.

\--isotropic-Tf\
                   Use isotropic temperature factor for structure\
                   factor calculations.

\--Miller-indexes "5 6 7 -1 2 -6"\
                   Provide limits on the Miller indices\
                   (hmax, hmin, kmax, kmin, lmax, lmin).\
                   Default: '10 -10 10 -10 10 -10'.

\--get-hkl-data\
                   Providing of a path to COD file which contains\
                   hkl data.

\--use-perl-parser\
                   Use development CIF parser written in Perl.

\--use-c-parser\
                   Use faster C/Yacc CIF parser (default).

\--help, --usage\
                   Output a short usage message (this message) and exit.

\--version\
                   Output version information and exit.

## REPORTING BUGS

Report cif\_Fcalc bugs using e-mail: cod-bugs@ibt.lt