Re: [PyMOL] molecular Mechanics calculations

[<hi...@ll...>]

On Oct 13, 2004, at 14:40, Gabriel PA=CBS wrote:

> Is it possible to make some basic molecular mechanics calculations in
> PyMOL, in fact I would like to measure the binding energy between a
> protein and various ligands?
>
Not with just PyMOL, as far as I know. However, you can use the MMTK=20
release with PyMOL interface that I recently announced here to write=20
PyMOL scripts and plugins that calculate energies and do other=20
molecular mechanics operations.

Konrad.
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Konrad Hinsen
Laboratoire L=E9on Brillouin, CEA Saclay,
91191 Gif-sur-Yvette Cedex, France
Tel.: +33-1 69 08 79 25
Fax: +33-1 69 08 82 61
E-Mail: hi...@ll...
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