Dear Connie,
pymol uses the APBS program to calculate the ESP, which in turn needs a
'pqr'-file as input. This pqr-file contains all atoms with the entries
for the B-value replaced with partial charges. It is probably better to
compare these partial charges than the redness of the surfaces.
Best,
Tim
On 11/30/2014 09:26 PM, Constance Jeffery wrote:
> Dear CCP4 users,
> I have a question about protein electrostatic surfaces. We used Pymol to calculate electrostatic surfaces of several protein structures. Is there a way to calculate the percent of surface that is red, or the area of surface that is red, so that we can quantitatively compare these structures?
>
> Thanks,
> Connie
>
--
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
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