Crystallographic Information Framework

 

CIFtbx version 4

Description

CIFtbx is a function library for programmers developing CIF applications. It is written in Fortran and is intended for use with Fortran programs.

Distribution

If you wish to install and use this software you should download the most up-to-date version from the above Web site. The links below are to copies which are suitable for browsing or for use if the primary Web site is not available. However, they may be out of date and lack the full functionality of the latest version.

Status

This is version 4.1.0 of November 2009. The library is under active development.

Language and platform

The software is written in Fortran77 and should compile and run in a command-line environment on any common operating system with a suitable Fortran compiler.

Documentation

  • Installation: Copy the selected archive (ciftbx.cshar.Z or ciftbx.shar.Z - only one is required) into an empty directory; this directory may also be used as the root directory for unpacking related applications such as cif2cif and cyclops. In this directory, uncompress the selected archive and execute it with the C or Bourne shell as appropriate. Unpacking the archive creates a source directory; change to this and make the library. 
     cp ciftbx.shar.Z /x/y/base
     cd /x/y/base
     uncompress ciftbx.shar.Z
     sh ciftbx.shar
     cd ciftbx.src
     make all
     make test
  • General information: README file (HTML format)
  • Primer and Reference Manual (PDF format)

Terms and conditions of use

Copyright in the software © the authors.
Authors: H. J. Bernstein and S. R. Hall

The software is distributed here under an open-source license. Queries concerning any use not covered under this license should be directed to yaya@bernstein-plus-sons.com.

References

Hall, S. R. & Bernstein, H. J. (1996). CIF applications. V. CIFtbx2: extended tool box for manipulating CIFs. J. Appl. Cryst. 29, 598-603. [details]

International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.