Peter & Miguel wrote: >> > - translation. By default Jmol moves all the atoms into the unit cell >> > (0,0,0)-> (1,1,1). >> >>Q: Do these files have cartesian coordinates or fractional coordinates? > > CIFs normally have fractionals > > >>Q: Can you send me a small sample file off-list? > > attached
Peter, I do not see that Jmol is moving all the atoms into the unit cell. This sample file contains some atoms that negative y and z fractional coordinates. When I say 'set unitcell on' in Jmol I see that there are atoms outside the box. Also, I took a brief look at the code and I don't see any place where this type of translation is taking place. Please advise. Miguel ----- Open Source Molecular Visualization www.jmol.org [EMAIL PROTECTED] ----- ------------------------------------------------------- This SF.net email is sponsored by: IT Product Guide on ITManagersJournal Use IT products in your business? Tell us what you think of them. Give us Your Opinions, Get Free ThinkGeek Gift Certificates! Click to find out more http://productguide.itmanagersjournal.com/guidepromo.tmpl _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
