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

• compressed C-shell archive (cif2cif.cshar.Z)
• compressed shell archive (cif2cif.shar.Z)
• individual source files

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)

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 [email protected].