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@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@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@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@uniroma2.it e-mail: m77it@yahoo.it Tel.: +39-0672594424 Fax: +39-0672594328
www.rete29aprile.it
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