> Sorry to pipe in on this, but I believe that Jmol inherently > wants/needs to represent the atoms in cartesian coordinate space, as > opposed to fractional space where the coordinate axes are not even > necessary required to be orthogonal.
Correct. But the Jmol file readers can read fractional coordinates and convert them to cartesian using the unit cell matrix. > From a visualization standpoint > they would have to be converted into regular cartesians. This does not > mean that it could not internally still retain the fractional > coordinates that gave rise to the cartesians. The coordinates get read in as x,y,z Then, if the ModelAdapter says that the coordinates are fractional they get converted to cartesian. Peter's message indicated that Jmol is translating the atoms so that they lie inside the unit cell. Miguel ------------------------------------------------------- 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
