On Tuesday 05 April 2005 09:50 am, Rzepa, Henry wrote: > >I forgot about the exact format of a pmesh file. So, Tim, maybe you could > > help here... do you have experience with mesh output of QM programs, so > > that we can setup things to be able to render orbitals? > > I am not aware of pmesh outputs; those that I have seen are either 3dmf > (which is a more abstract language, containing objects other than planes, > and hence capable of interfacing with eg openGL for performance) > or the Gaussian cube format (which needs isosurface rendering to turn into > a mesh I presume). There may be others.
Yes, conversion (ie. isosurface rendering) might be needed... I spoke some time ago with the author of Molden which can do this transformation... Are there open source tools which can do this? Egon ------------------------------------------------------- SF email is sponsored by - The IT Product Guide Read honest & candid reviews on hundreds of IT Products from real users. Discover which products truly live up to the hype. Start reading now. http://ads.osdn.com/?ad_id=6595&alloc_id=14396&op=click _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
