Dear CPP4 community,
I am in search of a program that will calculate the net charge of an
electrostatic surface formed by individual secondary structural elements
(versus the entire protein) of a structure: for example, the net charge
of the electrostatic surface of helices 2 and 3 versus,
Hello Rebecca,
this is merely a guess, but I think, it should work.
As you calculate the electrostatic surface potential in pymol, it uses apbs.
apbs, if I remember correctly creates an intermediate PDB-file where the
B-factor column is replaced with the partial charge of that atom.
So if you
Le 25 mars 2010 à 16:43, Tim Gruene a écrit :
Hello Rebecca,
this is merely a guess, but I think, it should work.
As you calculate the electrostatic surface potential in pymol, it uses apbs.
apbs, if I remember correctly creates an intermediate PDB-file where the
B-factor column is
