Re: [Jmol-users] Draw molecular HOMO

Try checking frame 2 instead of frame 1. Before loading the file, try set loglevel 5 Then load the file and look in the Java console. You should see information about what frames the orbitals are in and how many there are. Gaussian output, for example, puts the MOs in frame 2. Bob Hanson > >

Re: [Jmol-users] Draw molecular HOMO

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

Re: [Jmol-users] Draw molecular HOMO

Hi Angel: I try both the .cub file and .out file from GW03. Also downloaded .out file from some database. I would appreciate if you can send me a tested input file for JMOL to draw MO, or point out to me where I can download them. I prefer Gaussian format. Thanks Xibin __

Re: [Jmol-users] Draw molecular HOMO

ZhouXibin, you need a file that has the orbital information included. Only some formats support that. - Check out the new SourceForge.net Marketplace. It's the best place to buy or sell services for just about anything Open