Thanks to Bob Hanson, Jmol as used by ICSD web servers, can now display anistropic temperature ellipsoids while rotating the structure in real time. See http://icsd.ill.fr/icsd/help/CIF-help.html and click on the simple KCaF3 example then click "Demo" on the login screen.
Choose "Ellipsoid solid" for the traditional "jelly-bean" ellipsoid drawing, and rotate the structure while holding down the mouse button. You can draw your own structures using this WWW interface, including anisotropic temperature ellipsoids if the Uij matrix is given in your CIF. For an example CIF, click the Jmol logo in the display and select "collection..." then "kcaf3.cif". Thanks to Brian McMahon, Jmol structure display is also available on-line for papers published in IUCr journals. See: http://journals.iucr.org/ select the structure and click "3d view". ______________________________________________ Dr Alan Hewat, NeutronOptics, Grenoble, FRANCE <[EMAIL PROTECTED]> +33.476.98.41.68 http://www.NeutronOptics.com/hewat ______________________________________________
