Greetings, Jmol team! I've become interested (for various reasons) in displaying non-spherical atoms in Jmol. One possible application would be to show thermal ellipsoids (i.e. to generate ORTEP-style plots from x-ray data). The application I have in mind for ellipsoids is to display atoms from a Gay-Berne simulation (the Gay-Berne potential is an ellipsoidal generalization of Lennard-Jones that has become common in the liquid crystal community.
Right now, we're using atom-associated vectors for visualization within Jmol, and have modified the PovraySaver to construct ellipsoids from the atom positions and the vectors. In your estimation, how difficult would it be to modify the classes in g3d to render an ellipsoid within Jmol itself? In Povray, an ellipsoid is simply a stretched (or squashed) sphere that is then rotated and translated into the correct position. I imagine this is somewhat more difficult in the g3d rendering scheme. Any ideas if this is a feasible? Best regards, --Dan *********************************************** J. Daniel Gezelter Associate Professor Department of Chemistry and Biochemistry 251 Nieuwland Science Hall University of Notre Dame Notre Dame, IN 46556-5670 phone: +1 (574) 631-7595 fax: +1 (574) 631-6652 e-mail: [EMAIL PROTECTED] web: http://www.nd.edu/~gezelter ************************************************ _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
