.TH cif_Fcalc
.SH NAME
cif_Fcalc \- Compute the structure factors from CIF files. 
.SH SYNOPSIS
cif_Fcalc \-\-options input1.cif input*.cif


.SH DESCRIPTION

Compute the structure factors from CIF files.

.SH 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 values are (10, \-10, 10, \-10, 10, \-10).

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

\-\-dump\-xyz\-coordinates
                  Print an XYZ file.
                  This option is deprecated and will be removed in
                  future releases.

\-\-dump\-Cromer\-Mann
                  Print a Cromer\-Mann coefficients from CIF file.
                  This option is deprecated and will be removed in
                  future releases.

\-\-dump\-cell\-parameters
                  Print a short usage message with cell parameters.
                  This option is deprecated and will be removed in
                  future releases.

\-\-dump\-sorted\-F
                  Sort Fhkl numerically descending.
                  This option is deprecated and will be removed in
                  future releases.

\-\-dump\-atoms\-and\-neighbors
                  Print a labels of atoms and their neighbors from
                  a CIF file.
                  This option is deprecated and will be removed in
                  future releases.

\-\-dump\-test\-Fhkl
                  Print a following list:
                         h k l
                         F(phase)^2
                         F(phase, T.factor)^2
                         F(phase, T.factor,anomalous\-dispersion)^2
                  This option is deprecated and will be removed in
                  future releases.

\-\-dump\-cell\-xyz\-coordinates
                  Print a XYZ file which contains all atoms of cell.
                  This option is deprecated and will be removed in
                  future releases.


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