cif2cif

Description

cif2cif (Bernstein, 1998) is a CIF manipulation program that can copy a CIF while checking data names against dictionaries, optionally reformatting numbers to maintain standard uncertainties within a specified range. The output CIF may contain a subset of the data in the original CIF according to a request list, in the manner of QUASAR.

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 However, they may be out of date and lack the full functionality of the latest version.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 1.0.1 of April 2005. The software is provided as a demonstration program with the CIFtbx distribution.

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: The application requires CIFtbx. It is provided as part of the standard distribution of CIFtbx and may already have been installed when the library was installed. If not, copy the selected archive (cif2cif.cshar.Z or cif2cif.shar.Z - only one is required) into the parent directory of the ciftbx.src directory that stores the CIFtbx source files. 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 cif2cif.shar.Z /x/y/base
    cd /x/y/base
    uncompress cif2cif.shar.Z
    sh cif2cif.shar.Z
    cd cif2cif.src
    make all
    make test
  • General information: README file (HTML format)
  • Summary of use: Reading, Writing and Validating CIFS using CIFtbx2, cif2cif and Cyclops

Terms and Conditions of use

Copyright in the software © the author.
Author: H. J. Bernstein

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]