Bill, a few issues there. First, the point group business is still in development (after just a few days!) -- there are known bugs in 11.5.52 that are being fixed for 11.5.53. So please be patient.
One issue was that "draw pointgroup" was messing with the set of selected atoms. So when you went to do the isosurface, it was probably creating an isosurface for "select none" or something like that. I think I have that fixed now. Also, I've fixed the way the pointgroup calculation selects its atoms. Now it is more like the MO command -- when you switch to a new model using the FRAME command, if no atoms of that model are selected, all atoms in the current model are assumed to be part of the calculation. In the version you have, you have to explicitly say "select visible" to select the atoms in the frame currently viewed. -- Robert M. Hanson Professor of Chemistry St. Olaf College Northfield, MN http://www.stolaf.edu/people/hansonr If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ------------------------------------------------------------------------- This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
