On Friday 03 October 2003 04:15, Patrick J. Carroll wrote: > I think I've found a problem with the unit cell display in Jmol 7 when > reading a SHELXL .res type file. I had not noticed it as long as I was > displaying unit cells that had cell angles of 90 degrees, but I had a > problem with a triclinic cell. The cell angles in the .res file are > alpha=112, beta=103, gamma=92, BUT Jmol lists the angles as alpha=92, > beta=112, gamma=103 and the molecules were not displayed correctly.
Yes, the ShelX reader is at some point broken. I need to fix this, but have not been able to found the problem yet. Egon -- PhD Molecular Representation in Chemometrics Laboratory of Analytical Chemistry http://www-cac.sci.kun.nl/people/egonw.html ------------------------------------------------------- This SF.net email is sponsored by: SF.net Giveback Program. SourceForge.net hosts over 70,000 Open Source Projects. See the people who have HELPED US provide better services: Click here: http://sourceforge.net/supporters.php _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
