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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