[Chimera-users] << measuring areas >>
goddard at sonic.net
Mon Dec 2 10:17:28 PST 2013
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,
> Chimera-users mailing list
> Chimera-users at cgl.ucsf.edu
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