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

current version (author's web site)

Status

This is Version 0.1.0 of July 2000. The software is provided as a demonstration program with the CIFtbx distribution.

An early release of an updated version compatible with the CIFtbx library release 3 is also available on this disk.

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

The software is distributed here under an open-source license. Queries concerning any use not covered under this license should be directed to [email protected].

References

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