I'm sorry, I have no experience with MOPAC, but just a few hints: Jmol should be able to read mopout and graphf files: http://wiki.jmol.org/index.php/File_formats#MOPAC http://openmopac.net/manual/graph.html
You will probably need the mo or isosurface command http://chemapps.stolaf.edu/jmol/docs/#mo http://chemapps.stolaf.edu/jmol/docs/#isosurface Can you describe what you have done so far? On 9/17/07, Fabrice Gardebien <[EMAIL PROTECTED]> wrote: > > Dear Users, > I just want to visualize molecular orbitals obtained from Mopac, either > from the 'gpt' file or the 'wob' (and 'wmp') file. > Can someone explain how I could do this with Jmol. > Thank you very much in advance. > Best wishes, > Fabrice. -- Greetings, Pim http://www.molmod.com ------------------------------------------------------------------------- This SF.net email is sponsored by: Microsoft Defy all challenges. Microsoft(R) Visual Studio 2005. http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
