[Chimera-users] redox potential surface by chimera
Elaine Meng
meng at cgl.ucsf.edu
Mon May 14 16:32:59 PDT 2012
Hi Francesca,
That sounds like something that requires a quantum-chemical calculation, which Chimera does not do, sorry.
However, if you instead meant electrostatic potential (ESP), please see this previous post about methods for ESP map calculation:
<http://plato.cgl.ucsf.edu/pipermail/chimera-users/2012-May/007551.html>
... and this related tutorial:
<http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/tutorials/surfprop.html>
Best,
Elaine
----------
Elaine C. Meng, Ph.D.
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
On May 14, 2012, at 5:12 AM, Francesca Cantini wrote:
> Hi
>
> I would like to ask if anyone knows how to create the redox potential surface by chimera.
>
> thanks a lot
>
> Francesca Cantini
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