[Chimera-users] electrostatic potential based on Swiss-Model

Jingga Inlora arolni at umich.edu
Thu Jun 5 13:07:54 PDT 2014


Hello,
I am a graduate student at the University of Michigan and I am currently
trying to obtain images of my proteins with electrostatic potentials for my
manuscript. For one of my proteins, there is no solved protein structure
(by X-ray crystallography or NMR) and I had to use SWISS-MODEL to predict
the structure. I did electrostatic potential calculation using DelPhi but
when I visualized it using Chimera, the electrostatic distribution is not
what I expected. I did notice the electrostatic potential calculations for
other previously solved protein structures took much longer and resulted in
bigger files, whereas the SWISS-MODEL-predicted protein contains much
smaller .phi file size.
I was wondering if you have any idea how accurate it is to calculate the
electrostatic potential based on a SWISS-MODEL predicted protein structure,
and if there are ways to improve the reliability of the calculated
electrostatic potentials for that protein?
Thank you very much for your help!
Sincerely,
Jingga Inlora
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