ACIDIC_PROTONS
- openff.pablo.ccd.patches.ACIDIC_PROTONS: dict[str, list[str]]
Map from residue name to a list of atom names of abstractable hydrogens.
Each 3-tuple specifies an atom name to remove. This atom must have exactly one bond. A variant residue definition is created with that atom and bond removed, and the formal charge of the bonded atom reduced by one.
Note that all combinations of deprotonations are generated; this means a residue with
nabstractable hydrogens will have2**nvariants.