Miguel Ortiz Lombardia wrote: > You can use pdb2pqr/propKa (http://pdb2pqr.sourceforge.net/) to generate > a coordinates file with the atom radii in the "occupancy" column and the > partial charge in the "B-factor" column. You can ask for different pHs > (if using the appropriate force-field) > > Whith this modified pdb you can run Apbs (http://apbs.sourceforge.net/) > and get an electrostatic potential map. > > Chimera (http://www.cgl.ucsf.edu/chimera/) or pymol > (http://www.pymol.org) can read the apbs maps in ".dx" format and map > them onto the surface.
There's an apbs plugin for pymol that will take care of all this for you -- all you need to do is install apbs. It's linked from the main plugins page on the pymol homepage. Thanks, Donnie
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