Re: [PyMOL] Molecular Orbitals

2011-12-18 Thread Jason Vertrees
Hi Arne, PyMOL can read various cube-type files. Find the common format between Gaussian and PyMOL and use that one. After it's loaded into PyMOL you can represent the data as isomesh, isocontour, slice, gradient, and volume. Cheers, -- Jason On Sun, Dec 18, 2011 at 3:38 PM, Arne Dieckmann wro

[PyMOL] Molecular Orbitals

2011-12-18 Thread Arne Dieckmann
Dear all, how would I render molecular orbitals in pymol? I thought about exporting a cube-file from Gaussian containing a specific MO and importing this into pymol. Is that possible? If not, how would I do this? Thanks a lot! Cheers, Arne - - - - - - - - - - - - - - - - - - - - - - - - -