[Chimera-users] Surface charge density!

Tom Goddard goddard at sonic.net
Thu Mar 1 09:53:19 PST 2012

Hi Alina,

  By surface charge density do you mean the total charge on surface residues divided by the total surface area?  Or do you want local charge density, like just the outside face of the capsid?  Those could probably computed in Chimera. How will you use this value?


On Mar 1, 2012, at 9:04 AM, "IONEL , ALINA ELENA" <aionel at cnb.csic.es> 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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