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/
Additional help here.
Select a file (.pdb)
   Chains to consider (ex: A,D):
or enter a PDB Id   (ex: 1tim, 1timA)
Alternatively, you can input a PQR file


Calculation parameters:

Protein internal dielectic :
Solvent dielectic :
Ionic strength :

Optional specifications:

Supplementary coordinates file to compute potential at:
Supplementary coordinates MUST be specified in the xyz format (i.e. 3 coordinates per ligne, using blank as separator)
Color ranges in kcal/mol/e:
Positive range from :
to :
Negative range from :
to :
 
Image size:
Format : 
  gif is animated (rotation around Y axis)
Focus on : 
Focus is to specify the name of a residue or an atom that will be placed at the center of the image
(ex: A.TYR32.CB for carbon beta of TYR 32, chain A.)