qp.protonate

Assign protonation states using Protoss and apply corrections.

Submodules

qp.protonate.fix	Fix protonation errors in metal coordination sites.
qp.protonate.get_protoss	Add hydrogens using Protoss
qp.protonate.ligand_prop	Calculate QM properties of the ligands
qp.protonate.parse_output	Parse Protoss output logs and detect residue type changes.