[Chimera-users] Electrostatic potential

[George Tzotzos]

Hi Marco,

Many thanks. I'm aware of the APBS type of calculation, but Chimera provides Coulombic Surface Coloring. See 
file:///Applications/Chimera.app/Contents/Resources/share/chimera/helpdir/ContributedSoftware/coulombic/coulombic.html

However, I'm a bit confused by the description. I quote "The molecular surface(s) should first be displayed (using Actions... Surface... show or the command surface) and then chosen from the list of Surfaces to color by ESP"

Following this routine works but does not provide a list of "Surfaces to color by ESP". Probably one has to generate first a grid by the Compute grid option. Somehow, I cannot see how this option is activated from the Volume Viewer.

Best regards

George



On Jun 26, 2012, at 3:12 PM, sette at uniroma2.it wrote:

> 
> 
> Chimera don't make calculations of electrostatic potential.
> You can use other softwares for this, like APBS or Delphi.
> 
> Marco
> 
> 
> George Tzotzos <gtzotzos at me.com> ha scritto:
> 
>> Hi everybody,
>> 
>> Assuming that one knows the precise residues constituting a binding site, it is possible to calculate the electrostatic potential of these residues only? If yes, how?
>> 
>> Thanks for any advice
>> 
>> George
>> _______________________________________________
>> Chimera-users mailing list
>> Chimera-users at cgl.ucsf.edu
>> http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users
>> 
> 
> 
> 
> Dr.Marco Sette, Ph.D.
> 
> Department of Chemical Sciences and Technology
> University of Rome, "Tor Vergata"
> via della Ricerca Scientifica, 00133, Rome, Italy
> e-mail:        sette at uniroma2.it
> e-mail:        m77it at yahoo.it
> Tel.:          +39-0672594424
> Fax:           +39-0672594328
> 
> www.rete29aprile.it
> 
> 
> ----------------------------------------------------------------
> Invito da parte dell'Ateneo:
> Il tuo futuro e quello della Ricerca Scientifica hanno bisogno del
> tuo aiuto. Dona il  5 x mille all'Universita' di Roma Tor Vergata
> codice fiscale: 80213750583 http://5x1000.uniroma2.it
> 
> 
> _______________________________________________
> Chimera-users mailing list
> Chimera-users at cgl.ucsf.edu
> http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/attachments/20120626/1eca3657/attachment.html>