Hi Xibin I really have no experience with orbitals, but there is a set of test files within Jmol project. The URL is http://jmol.svn.sourceforge.net/viewvc/jmol/trunk/Jmol-datafiles/
You can also download a copy for testing from Bob's pages demonstrating the MO command: http://chemapps.stolaf.edu/jmol/docs/examples-11/mo.htm (to download from the applet, open popup menu, topmost entry, then last subentry) Good luck ------------------------------------------------------------------------- Check out the new SourceForge.net Marketplace. It's the best place to buy or sell services for just about anything Open Source. http://ad.doubleclick.net/clk;164216239;13503038;w?http://sf.net/marketplace _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users