Hi John,
I would probably use Pdb2pqr, to assign charges and radii for the
atoms at different pHs, and then APBS integrated in Pymol software for
visualization:
http://kryptonite.nbcr.net/pdb2pqr/
http://www.poissonboltzmann.org/apbs/
Hope this helps,
Florian
On Aug 19, 2011, at 2:35 PM,
, August 19, 2011 2:35 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Electostatic surface at various pH
Hi All,
Apologies for this slight off topic, however this could very well be
the best bulletin board to seek help.
I need to calculate the electrostatic surface and make surface figures
for a
Hi All,
Apologies for this slight off topic, however this could very well be
the best bulletin board to seek help.
I need to calculate the electrostatic surface and make surface figures
for a protein at various pHs, say 4.0, 7.0 & 9.0. I'm doing this kind
of wok for the first time. Could you su
