How to calculate charge on a specified residue in a protein?

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Avinash S. Punekar

Try PDB2PQR (http://nbcr-222.ucsd.edu/pdb2pqr_1.9.0/). The output PQR file will contain per atom charge for each residue.

Vandana Kumari

Thank you for the reply but i want to know the charge on a surface residue which not only depends on charge of atoms of the residue but also on the dielectric constant of solvent.