> You can import unit cells & coordinates from CIFs into GSAS via EXPGUI. > I think I wrote a routine to do the same from PowderCell .CEL files, but > I don't remember for sure. > > There should be an example that shows how this is done somewhere. Check > my alumina tutorial or look on CCP14.
Example of importing a CIF via EXPGUI at: http://www.ccp14.ac.uk/solution/gsas/jon_wright_restraints_script.html Other formats EXPGUI will import are PowderCell, Platon - and other GSAS EXP files. Lachlan. -- ----------------------- Lachlan M. D. Cranswick Contact outside working hours / Coordonnees en dehors des heures de travail: E-mail / courriel: [EMAIL PROTECTED] Home Tel: (613) 584-4226 Mobile/Cell: 613 401 3433 WWW: http://lachlan.bluehaze.com.au/ P.O. Box 2057, Deep River, Ontario, Canada, K0J 1P0 (please use clear titles in any Email - otherwise messages might accidentally get put in the SPAM list due to large amount of junk Email being received. If you don't get an expected reply to any messages, please try again.) (Essayez d'utiliser des titres explicites - sans quoi vos messages pourraient aboutir dans un dossier de rebuts, du fait de la quantite tres importante de pourriels recue. Si vous n'obtenez pas la reponse attendue, merci de bien vouloir renvoyer un message.)
