A first attempt at automatic calculation of molecular point group, including drawing and description of all point group operations is now uploaded and can be released as Jmol 11.5.52
Thanks to all at the BCCE for the feature requests. For those who were not present, we had a great series of Jmol-filled presentations, including Dean Johnston showing off his symmetry page (http://symmetry.otterbein.edu) and Jonathan Gutow wowing the crowd with Jmol Web Export capability. I posed a challenge (to myself) at my symposium -- the best feature request suggested by the end of the symposium (Monday) would be incorporated into Jmol by the end of the conference. That winning feature was calculate of molecular point group (C3v, S4, etc.), and I am pleased to say that its programming is complete. Three new commands: calculate pointgroup -- echos the group name draw pointgroup -- draws planes and axes write pointgroup -- delivers DRAW script commands used in draw pointgroup note that with x = script("write pointgroup") you can programmatically manipulate this information -- create selection drop-down lists or checkboxes, for example, or selectively draw the elements. Bob -- 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
