VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Jul 12 2005 - 13:05:46 CDT

Jiabo,
  You'll want to use the "Isosurface" graphical representation in order
to draw your electron orbitals. You'll just have to choose the appropriate
isovalue for each of the the orbitals you want to see. You can also make
them transparent. Axel Kohlmeyer has an excellent VMD tutorial that
illustrates this sort of thing using cube files produced by other packages:
  http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-vmd/index.html

  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Jul 12, 2005 at 09:24:56AM -0700, Jiabo Li wrote:
> Hi,
>
> I am a new user of VMD. I am very interested in the visualization of molecule orbitals. I have created cube file which can be displayed in other visualizer, like Molekel, but I see nothing in VMD even though the file was loaded correctly and the molecule was displayed. Anyone can teach me how to display the beautiful picture of orbitals?
>
> Thanks,
>
> Jiabo 

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NIH Resource for Macromolecular Modeling and Bioinformatics
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