[Chimera-users] Interpreting field / force direction in Coulombic Surface Coloring

Elaine Meng meng at cgl.ucsf.edu
Tue May 22 08:57:51 PDT 2012


Hi Sumitro,
Yes, positive potential favors interaction with negative charges and vice versa.
<http://plato.cgl.ucsf.edu/pipermail/chimera-users/2012-May/007591.html>

For example, in this tutorial, Coulombic coloring shows a blue (positive potential) pocket binding a highly negatively charged ligand.
<http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/tutorials/surfprop.html>
<http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/tutorials/surfprop.html#esp>

Elaine

On May 21, 2012, at 5:12 PM, Sumitro Harjanto wrote:

> Hi elaine, so can I say that blue surface (positive potential) is positively charged and has the tendency to attract negative charges?
> 
> On May 22, 2012 1:48 AM, "Elaine Meng" <meng at cgl.ucsf.edu> wrote:
> The color shows the value of the potential.   If you are using default coloring settings, blue is for positive potential, red for negative potential.
> Elaine
> 
> On May 20, 2012, at 4:39 AM, Sumitro Harjanto wrote:
> 
> > Hi elaine, so does blue patch (positive interaction energy) mean positively charged or negatively charged surface?
> >





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