Re: [PyMOL] Molecular Orbitals

[Jason V. <jas...@sc...>]

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 <adi...@go...> wrote:
> 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
>
> - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
> Arne Dieckmann
> Houk Research Lab | University of California, Los Angeles
>
>
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-- 
Jason Vertrees, PhD
PyMOL Product Manager
Schrodinger, LLC

(e) Jas...@sc...
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