[Chimera-users] Surface charge density!

Elaine Meng meng at cgl.ucsf.edu
Thu Mar 1 09:27:33 PST 2012


Hi Alina,
Sorry, Chimera does not calculate surface charge density. 
Elaine
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Elaine C. Meng, Ph.D. 
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco

On Mar 1, 2012, at 9:04 AM, IONEL , ALINA ELENA wrote:

> Hi,
> My name is Alina Ionel and I am PhD student. I have a pseudoatomic model (in pdb format) for a capsid protein. I did a representation of the electrostatic potential in Chimera with the option “Coulombic Surface Coloring” for a hexamer, for example. The unit of this potential are in Kcal/mol*e and the surface is colored in a range of values -10 to 10 Kcal/mol*e.
> I want to know the surface charge density for this hexamer (in C/m2). I need the value.
> Can you help me, please?
> Thank you, Alina





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