[Chimera-users] << measuring areas >>
hatuey.hack at gmail.com
Tue Dec 3 07:18:10 PST 2013
Thank you very much!
I will try the suggestions.
On Mon, Dec 2, 2013 at 4:17 PM, Tom Goddard <goddard at sonic.net> wrote:
> Hi Hatuey,
> Some Python code could calculate this -- Chimera has the underlying
> funtions to find the electrostatic potential at surface points and give an
> area for each surface point (1/3 of the areas of all the surface triangles
> that have a corner at that point). But the details are important - what
> surface? and how do you want ESP calculated? I think the most sensible
> surface to use would be the solvent accessible surface, but Chimera does
> not calculate that type of surface. ESP could be computed by Coulombic
> approximation or APBS or other external programs that use Poisson-Boltzman
> to handle solvent dielectric better.
> On Dec 2, 2013, at 2:02 AM, Hatuey Hack wrote:
> > Hellos ChimeraUsers,
> > It could be possible to measure different parts of a surface according
> to a given parameter?
> > For example, from the electrostatic potential surface, I would like to
> know the respective area surface with positive and/or negative values.
> > Best regards,
> > Hatuey
> > _______________________________________________
> > Chimera-users mailing list
> > Chimera-users at cgl.ucsf.edu
> > http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users
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