Following is a powder equivalent of a post to the general crystallography newsgroup (sci.techniques.xtallography): Using the GUI based XtalView (Linux/UNIX) as an example: http://www.scripps.edu/pub/dem-web/ UK Mirror: http://www.ccp14.ac.uk/ccp/web-mirrors/xtalview-mcree/pub/dem-web/index.html Australian Mirror: ftp://ftp.minerals.csiro.au/pub/xtallography/ccp14/ccp/web-mirrors/xtalview-mcree/pub/dem-web/index.html (or any other related real-space refinement software) Are there any comments, attempts or experience on using this type of real-space solution/refinement software for structures - organics/disorder/published/unpublished - using Powder Diffraction data/Rietveld software? (e.g., linking to Xtalview via outputted Shelx LIST 6 files to make density maps and WPDB -2 for coordinates)? (Powder Diffraction data and Protein refinement does have a similar feel in trying to obtain the best result from not as good as would be liked raw diffraction data(?)) ---- With useage of GSAS/Rietveld method for highly constrained refinements of proteins to Powder data - what would this type of method graphicallly show during refinement? Lachlan. Lachlan M. D. Cranswick 4th Jan - 16th March 1999 Visiting Scientist CSIRO Division of Minerals, Melbourne, Australia Tel: (613) 9545 8500 (switch) Fax: (613) 9562 8919 [EMAIL PROTECTED] Collaborative Computational Project No 14 (CCP14) for Single Crystal and Powder Diffraction Daresbury Laboratory, Warrington, WA4 4AD U.K Tel: +44-1925-603703 Fax: +44-1925-603124 E-mail: [EMAIL PROTECTED] Ext: 3703 Room C14 NEW CCP14 Web Domain (Under heavy construction): http://www.ccp14.ac.uk
