Comments (1)
You can use PDB2PQR to add hydrogens based on the protonation states assigned by PROPKA.
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Related Issues (20)
- Missing atoms or failed protonation HOT 5
- Lys backbone deltas don't appear to exist
- Please make new release for PyPI HOT 5
- GitHub action-based testing is failing
- Update change log
- Change primary branch name HOT 1
- Pending job start HOT 5
- Valence electrons Key Error: 'Mo' HOT 1
- How to get the charge on each Amino residue? HOT 1
- IndexError: list index out of range HOT 2
- Release new version HOT 1
- Question about how to use
- Resolve status of Parameters.hydrogen_bonds
- Release new PIP package HOT 1
- test_open_file_for_reading fails on Windows HOT 2
- replace/update readthedocs-sphinx-search Sphinx extension HOT 2
- Consider eliminating propka/version.py
- Unexpected pKa values and Coulombic interactions for amino acid residues
- Input file and downloading v3.1 HOT 5
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