Comments (1)
I think we should only restore this if it is requested by users.
from pdb2pqr.
Related Issues (20)
- Validation of protonation states in the output PDB File HOT 1
- Fix typo in visualization documentation
- Add code warnings and documentation about the --keep-protons option being ignored HOT 1
- Replace XML-format data files with YAML
- Too far hydrogen generated from "charmmgui corrected" pdb? HOT 3
- ValueError: 'P' is not in list HOT 2
- update docutils please?
- pdb2pqr modifies the chain names HOT 4
- Caculating electrrostatic potential over distance HOT 4
- inputget error on alphafold structures HOT 2
- Error in ligand processing HOT 2
- Release new version
- Update pkg_resources HOT 1
- Generate tests for amino acid naming HOT 1
- Non-integer residue charge with PEOEPB
- Upgrade Sphinx packages
- Error to process neutral Cter of ASN HOT 2
- What to do when I have multiple occupancies?
- Using pKa-ANI to compute titration states at a given pH? HOT 2
- pdb2pqr does not remove atoms as expected
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