qp.structure.convert_nhie_oxo.remove_oxo_hydrogens¶
- qp.structure.convert_nhie_oxo.remove_oxo_hydrogens(protoss_pdb)[source]¶
Remove hydrogen atoms from OXO residues.
Protoss may add hydrogens to the OXO oxygen; this function removes them to maintain the correct oxo (O2-) charge state.
- Parameters:
protoss_pdb (str) – Path to the PDB file (modified in place).