PCE: Protein Continuum Electrostatics - Electrostatic Potential
An interface to electrostatic calculations using D. Bashford' MEAD program.
Note: Electrostatic calculations are currently performed using PARSE parameters. Currently non-protein or nucleic acid atoms are excluded from the calculations. Hence: Ions for instance are not currently considered. However, you can escape this limitation by the direct input of a PQR file. A tool to prepare PQR files is at: http://agave.wustl.edu/pdb2pqr/