dirdif - DIRDIF-2008 is a program for solving crystal structures
| Website: | http://www.xtal.science.ru.nl/dirdif/software/dirdif.html |
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| License: | Proprietary |
- Description:
A computer program for Crystal Structure Determination by Patterson Methods and Direct Methods applied to Difference Structure Factors. Reference: P.T. Beurskens, G. Beurskens, R. de Gelder, S. Garcia-Granda, R.O. Gould, and J.M.M. Smits (2008). The DIRDIF2008 program system, Crystallography Laboratory, University of Nijmegen, The Netherlands.
Packages
| dirdif-2008.3-1.fc8.i386 [1.7 MiB] |
Changelog
by John (2009-12-09):
- First test build and rpm creation
- DIRDIF-2008.3 15 Aug. 2008
Major changes in DIRDIF-2008 relative to DIRDIF-1999:
- it is one single program (it was a collection of many programs)
- it is computer independent
- it accepts more sets in ATMOD ( file for molecular search fragments )
- it analyses all possible atoms sets obtained from the Patterson
( both for heavy atom structures and for Vector Search procedures )
- it includes a generation program for flexible molecular fragments
- and all is fully automatic: no control data needed
- the use of the SHELX ccode.ins and ccode.res files has been changed
- it is freely available for all non-commercial users
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