[Chimera-users] Surface charge density!
meng at cgl.ucsf.edu
Thu Mar 1 09:27:33 PST 2012
Sorry, Chimera does not calculate surface charge density.
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:
> 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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