Visualizing results from obprobe

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Visualizing results from obprobe

Benjamin Horsman
Hello,

I am studying peptides between 14 and 18 aa in length in various conformations.  The isosurfaces produced by MolIso (www.moliso.de) seem like an informative way to present the data, but the program runs out of memory and crashes on these structures.  Could anyone here recommend a good way to view results from obprobe?

Best regards,

Benjamin GS Horsman


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Re: Visualizing results from obprobe

Geoffrey Hutchison-3
> I am studying peptides between 14 and 18 aa in length in various conformations.  The isosurfaces produced by MolIso (www.moliso.de) seem like an informative way to present the data, but the program runs out of memory and crashes on these structures.  Could anyone here recommend a good way to view results from obprobe?

These are standard Gaussian "cube" files. Many programs, particularly those handling quantum calculations should handle these just fine.

For example, you could try the Avogadro package, developed by some of the Open Babel developers:
http://avogadro.openmolecules.net/

Cheers,
-Geoff

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Prof. Geoffrey Hutchison
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University of Pittsburgh
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