IUCRVAL - Validation of CIF's

IUCRVAL is a program for validation of (small molecule but not MM) CIF's using the algorithms published in the IUCr document IUCr Validation Procedures. These are the part of the criteria for publication in Acta Cryst C. Other journal are less stringent, but this checking procedure is very useful in all cases. Almost all the checks indicated in the above IUCr document are implemented in IUCRVAL, and users should refer to this document for the exact meaning of each test. The validity of each data name may also be checked against CIF_CORE.DIC. the current CIF dictionary for small molecules. The program is also incorporated into the WinGX program system.

The program IUCRVAL is supplied as the source-code and as pre-compiled executables for Windows and several UNIX platforms. It is written in standard Fortran77. For further information and installation instructions, see the README file.

IUCRVAL is provided free of charge for academic, scientific, educational and non-commercial users only, provided its use is acknowledged.

IMPORTANT NOTE : This stand-alone version is an unsupported archive version which is frozen in its current state. The WinGX version is the only one which will be updated from now on.

Click on the buttons below to :

Download the Windows 32-bit version (for Windows 95/98/NT/ME/2000/XP)

Download the SUN OS4/5 version

Download the SG-Irix5 version

Download the DEC-ALPHA osf1 version

Download the Linux (RedHat 7.0) version

Download the source codes as a Unix archive.

Download the source codes as a Windows archive.

Author: Louis J. Farrugia

Department of Chemistry, Joseph Black Building,
University Of Glasgow, Glasgow G12 8QQ
Telephone +44 (0)141 330 5137
FAX +44 (0)141 330 4888

E-mail louis@chem.gla.ac.uk

Please send any comments, queries or complaints on IUCRVAL to above email address.

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