Hi, try the pdb2pqr software (http://www.poissonboltzmann.org/pdb2pqr) to get the partial charges. There is a server at http://nbcr-222.ucsd.edu/pdb2pqr_1.8/
Regards Alexander ----- Ursprüngliche Mail ----- > Von: "Eric Martz" <[email protected]> > An: [email protected] > CC: "Joel Sussman" <[email protected]>, "Vladimir A. Meshcheryakov" > <[email protected]>, "Hideyuki > MATSUNAMI" <[email protected]>, "f a samatey" <[email protected]> > Gesendet: Dienstag, 30. April 2013 08:21:25 > Betreff: [Jmol-users] Electrostatic potential for proteins? > > Can someone recommend how to calculate electrostatic potentials for a > protein, and generate an atomic coordinate file containing partial > charges that can be displayed in Jmol as a surface colored by > electrostatic potential? > > Thanks, Eric > > > ------------------------------------------------------------------------------ > Introducing AppDynamics Lite, a free troubleshooting tool for > Java/.NET > Get 100% visibility into your production application - at no cost. > Code-level diagnostics for performance bottlenecks with <2% overhead > Download for free and get started troubleshooting in minutes. > http://p.sf.net/sfu/appdyn_d2d_ap1 > _______________________________________________ > Jmol-users mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/jmol-users > ------------------------------------------------------------------------------ Introducing AppDynamics Lite, a free troubleshooting tool for Java/.NET Get 100% visibility into your production application - at no cost. Code-level diagnostics for performance bottlenecks with <2% overhead Download for free and get started troubleshooting in minutes. http://p.sf.net/sfu/appdyn_d2d_ap1 _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
