Uwe,
One way to do this is to override the B-factor column of a pdb file with
the partial chages (ESP). Then pymol can "color by B-factor".
Let me know how you decide to do this or if you have questions about the
B-factor method.
Dan
Uwe Richter wrote:
Dear Pymol users,
I have calculated the electrostatic potential of some molecules (using
gamess-us) and want to visualize the potentials. Apparently pymol
can display ESPs but certainly won't be able to read the gamess output.
So I just need a file format to which I can translate the ESP. Can
anybody
give me an example?
Best regards,
Uwe
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