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CIFtbx, Cyclops, cif2cif README FIRST Information

CIFtbx Version 2.6.2, June 1998

Cyclops Version 2.1.4, May 1997

cif2cif Version 0.0.8 beta, April 1998

Sydney R. Hall
Crystallography Centre, University of Western Australia, Nedlands 6009, Australia
Phone: +61 9 380 2725, e-mail: syd@crystal.uwa.edu.au

Herbert J. Bernstein
Bernstein+Sons, P.O. Box 177, Bellport, NY 11713-0177, USA
Phone: 1-516-286-1999, e-mail: yaya@bernstein-plus-sons.com

Before using this software, please read the
NOTICE
and please read the IUCr
Policy
on the Use of the Crystallographic Information File (CIF)

CIFtbx Primer Plus (320K in PDF ) provides documentation on CIFtbx.

In order to get a complete release of CIFtbx2, CYCLOPS2 and cif2cif you will need either a C-shell archive or a shell archive of each package. That is, you need either

ciftbx.cshar.Z, cyclops.cshar.Z and cif2cif.cshar.Z or

ciftbx.shar.Z, cyclops.shar.Z and cif2cif.shar.Z

You do not need both sets. If you cannot decompress files at your end, then you may wish to have ciftbx.cshar, cyclops.cshar, and cif2cif.cshar,

In order to test the programs, you will need at least the following CIF dictionaries: cif_core.dic.Z and cif_mm.dic.Z Check the IUCr web page at http://www.iucr.org for latest versions.

The directory structure within which you will work is 

                          top level directory
                          -------------------
                                  |
                                  |
            ---------------------------------------------
            |              |             |              |
       dictionaries   ciftbx.src     cyclops.src   cif2cif.src
       ------------   ----------     -----------   -----------

In order to save space and transmission time, it is possible that each archive will be compressed before you pick it up. Place the archives in the top level directory and the dictionaries into the 'dictionaries' directory. Be sure to uncompress the archives before trying to unpack them. If you are on a UNIX system, leave the dictionaries compressed.

Each archive contains a detailed README file for the package involved. Please do read the README. The general approach is:

1. unpack the archive

2. make all

3. make tests

Since all this code depends on CIFtbx, you must install CIFtbx before installing CYCLOPS2 or cif2cif. If you don't need CYCLOPS2 or cif2cif, you may leave them out, but they are good examples of working CIFtbx applications, so we suggest taking a look at them if you are new to CIFtbx.

Updated 21 June 1998

For further information contact Syd Hall (syd@crystal.uwa.edu.au) or Herbert Bernstein (yaya@bernstein-plus-sons.com) or Herbert Bernstein's latest sources .