FICHA · AUR
python-pdb2pqr
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.
- Biomolecular structure preparation tool
- LIBRARY
- SCIENCE
- Dependency only
· official+codex · reviewed · Jun 3, 2026 description in en
Biomolecular structures can be prepared for continuum solvation calculations and related simulations. Computational biologists use pdb2pqr for protonation, charge assignment, structure cleanup, and modeling workflows. Results depend on input structures, force fields, and documented parameters.
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