This page describes recently released CIF software. Please send comments, bugs and especially "it worked for me" reports to the primary author.
NCNR CIF Software
- GSAS2CIF
- The GSAS2CIF program creates CIF files from GSAS refinements. GSAS2CIF is distributed as part of the GSAS software package (info on GSAS.) Use of GSAS2CIF is documented on a separate web page. This web page also describes two GUI utility programs contained in the EXPGUI package, one that is used to add information to the CIF (FillTemplate), and one that sets the publication flags for the distances and angles (CIFSelect).
GSAS (and GSAS2CIF) is written in FORTRAN and runs on Windows, Linux, Silicon Graphics computers. There is some hope that this software may Work in Mac OS X someday as well. The source code for GSAS is not distributed, but to aid others wishing to develop similar applications, the source code developed specifically for GSAS2CIF is documented in a series of web pages.
An article on GSAS2CIF coauthored with R. B. Von Dreele and A. C. Larson, can be found in the Journal of Applied Crystallography 36, 1290-1294.
- pdCIFplot
- The pdCIFplot plotting program is used to create plots of Rietveld results from pdCIF files. See the pdCIFplot documentation. The source code (written in Tcl/Tk and using the BLT package) is included in the CIFTOOLS (see below) distribution package. The program has been tested in Windows, Linux, Irix and Mac OS X.
An article on pdCIFplot can be found in the Journal of Applied Crystallography 36, 1285-1287.
- CIFEDIT
- The CIFEDIT program is used to create browse through and edit CIF files. It may be used with all types of CIF files, including mmCIFs. See the CIFEDIT documentation. Code development for CIFEDIT was motivated in part so that the capabilities could be incorporated in other software projects. This has been done in the FillTemplate, EXPGUI, and pdCIFplot programs. To help make this code more useful to others wishing to write CIF applications, web pages with documentation for the CIFEDIT source code has been made available. The source code (written in Tcl/Tk) is included in the CIFTOOLS (see below) distribution package. The program has been tested in Windows, Linux, Irix and Mac OS X. It should be portable to virtually all modern computer platforms.
An article on CIFEDIT can be found in the Journal of Applied Crystallography 36, 1288-1289.
- CIFTOOLS
- The NCNR CIFTOOLS package contains both the CIFEDIT and pdCIFplot programs, documentation of use and some sample CIFs. The package is distributed in two formats: for Windows as a self-installing program (ftp://ftp.ncnr.nist.gov/pub/cryst/cif/ciftools.exe) or for Unix, as gzipped tar file (ftp://ftp.ncnr.nist.gov/pub/cryst/cif/ciftools.tar.gz) For more details, refer to the installation instructions.
Neither the U.S. Government nor any author makes any warranty,
expressed or implied, or assumes any liability or responsibility
for the use of this information or the software described
here. Brand names cited herein are used for
identification purposes and do not constitute an endorsement by NIST.
Comments, corrections or questions: crystal@NIST.gov
lastmod(); ?>
$Revision: 1.4 $ $Date: 2003/08/28 15:37:14 $