Automates many of the common tasks of preparing structures for continuum solvation calculations as well as many other types of biomolecular structure modeling, analysis, and simulation.
Project description
PDB2PQR
This package contains the PDB2PQR software. For more information, please see
- Home page: http://www.poissonboltzmann.org/
- Documentation: http://pdb2pqr.readthedocs.io
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