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PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.

Python package codecov Documentation Status

PDB2PQR

This package contains the PDB2PQR software. For more information, please see

  • Home page: http://www.poissonboltzmann.org/
  • Documentation: http://pdb2pqr.readthedocs.io