https://github.com/electrostatics/pdb2pqr
PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
https://github.com/electrostatics/pdb2pqr
bioinformatics biophysics chemistry hacktoberfest help-wanted
Last synced: 5 months ago
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PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
- Host: GitHub
- URL: https://github.com/electrostatics/pdb2pqr
- Owner: Electrostatics
- License: other
- Created: 2020-06-29T17:49:20.000Z (about 6 years ago)
- Default Branch: master
- Last Pushed: 2025-12-07T14:15:00.000Z (7 months ago)
- Last Synced: 2026-02-15T00:31:39.262Z (5 months ago)
- Topics: bioinformatics, biophysics, chemistry, hacktoberfest, help-wanted
- Language: Python
- Homepage: http://www.poissonboltzmann.org/
- Size: 39.8 MB
- Stars: 166
- Watchers: 16
- Forks: 40
- Open Issues: 16
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Metadata Files:
- Readme: README.md
- Contributing: CONTRIBUTING.md
- License: COPYING
- Code of conduct: CODE_OF_CONDUCT.md