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.
Bob Brian McMahon wrote: >Probably a frequently-asked question, for which I apologise, but >I was wondering whether it is possible in Jmol to implement >"thermal ellipsoid plots" in the manner of the crystallographic >program ORTEP (i.e. atoms are represented by ellipsoids whose axes >are proportional in length to the relevant components of the >anisotropic displacement tensor). Such a feature would help us to >get a lot more Jmol-generated content into Acta Cryst. > >Best wishes >Brian >_________________________________________________________________________ >Brian McMahon tel: +44 1244 342878 >Research and Development Officer fax: +44 1244 314888 >International Union of Crystallography e-mail: [EMAIL PROTECTED] >5 Abbey Square, Chester CH1 2HU, England > >------------------------------------------------------------------------- >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 > > -- 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 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
