On Mon, April 14, 2008 9:28 am, Bob Hanson wrote: > Brian, I would love to get this into Jmol. I think we can do a fabulous > job of it, but I need to understand how thermal ellipsoids are > designated in common file formats and how one would suggest depicting > them (with the quarter-segment left out?). I did look into this a while > back, but the designations were just too confusing for me. Currently we > can draw ellipsoids with axes a, b, c of the form |a| = |b| != |c|. If > we need |a| != |b| != |c|, that will be more of a challenge but not out > of the question.
I'd suggest using the full ellipsoid with equatorial lines rather than making octant-removed versions. The full ellipsoid will draw faster and, at the sizes and resolution used for on-screen drawings the octant-removed style doesn't look so good. A very important option to have available is the ability to set H atoms to spheres that are of an "artistic" size rather than the size of the B value in the file. Rich ------------------------------------------------------------------------- This SF.net email is sponsored by the 2008 JavaOne(SM) Conference Don't miss this year's exciting event. There's still time to save $100. Use priority code J8TL2D2. http://ad.doubleclick.net/clk;198757673;13503038;p?http://java.sun.com/javaone _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
