From: Axel Kohlmeyer (
Date: Fri Sep 14 2007 - 07:32:14 CDT

On Fri, 14 Sep 2007, Dr. Seth Olsen wrote:

SO> Hi VMDers,


SO> I'm having some trouble using VMD to examine a cube file containing multiple
SO> (3) orbitals. What is happening is that when I create the 'isosurface'

what version of VMD? what platform etc.? also what code did
you generate the cube file with? last time i tested with a
recent version of VMD multiple orbital support was working...

SO> representation, VMD shows me all the orbitals at once, and they are wierdly
SO> distorted i.e. they are compressed along one axis. Does anyone know how to
SO> fix this. I've had no problems recently with single-grid cube files, I just
SO> run into this when viewing cubes with multiple grid data sets.

this looks as if the cubefile is not fully in accord with
the cubefile documentation from gaussian. can you please
upload an example to the VMD biocore project. i can take
a look and (hopefully) either tell you how to fix the
cubefile or the plugin.


SO> Cheers,
SO> Seth

Axel Kohlmeyer
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
If you make something idiot-proof, the universe creates a better idiot.