PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
What is the Electrostatics/pdb2pqr GitHub project? Description: "PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.". Written in Python. Explain what it does, its main use cases, key features, and who would benefit from using it.
Question is copied to clipboard — paste it after the AI opens.
Clone via HTTPS
Clone via SSH
Download ZIP
Download master.zipReport bugs or request features on the pdb2pqr issue tracker:
Open GitHub Issues