[Chimera-users] need help to plot electrostatic surface charge distribution

Elaine Meng meng at cgl.ucsf.edu
Tue Apr 26 08:45:48 PDT 2016


Dear Ashok,
If the NMR structure has multiple conformations, you first have to decide which one you want and close the others.  About that, see this post from yesterday:
<http://plato.cgl.ucsf.edu/pipermail/chimera-users/2016-April/012204.html>

Next, delete hydrogens, for example, command:  delete H
You could also do it with the menu.  To start learning Chimera, you could try the “getting started” tutorials:
<http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/frametut.html>

Next, show electrostatic potential coloring on the surface.  There is already a step-by-step tutorial for that, and it includes two different ways (Coulombic and Poisson-Boltzmann):
<http://www.rbvi.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 Apr 26, 2016, at 5:13 AM, ashok rout <ashok9869 at gmail.com> wrote:
> 
> Hi,
>  I have NMR structure of a protein. I want to plot electrostatic surface charge distribution. Can you please write me step by step commands how I can do it.
> I want to remove hydrogens first and then want to plot electrostatic surface charge distribution.
> Ashok
> 
> -- 
> thanks & regards,
> Ashok




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