[Jmol-users] molecular electrostatic potentials

[Bob H. <ha...@st...>]

I'd appreciate someone verifying the integrity of


      molecular electrostatic potentials

Jmol 10.9.63 introduces *isosurface MEP*, with which you can display 
molecular electrostatic potentials. These potentials are calculated from 
partial charge data present in a file; Jmol cannot calculate these charges.


All I'm doing is a very simple   SUM(q_i / r_i) where q_i is the charge 
on an atom and r_i is the distance from the surface point to the atom, 
summed over all atoms. Right? Compare with other programs' visualizations?

Bob