[Chimera-users] Electrostatic Potential Calculations Using Coulomb's Law

Arth Patel patelarth2604 at gmail.com
Fri Jul 24 12:10:10 PDT 2020


Hello Everyone,

I have a .pqr file generated using the APBS website and I want to calculate
the electrostatic potential for each atom of the proteins using this. I did
this using the surface analysis --> Coulombic Surface on Chimera. As part
of my current research I am supposed to write a code on python for the same
but when I compare the results, I am getting different results. Can
someone please explain how to calculate the atom electrostatic potentials
from a .pqr file theoretically?

Thanks,
Arth
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/attachments/20200724/0e315615/attachment.html>


More information about the Chimera-users mailing list