autofragment.data.pka_values

pKa lookup tables for ionizable groups.

This module provides pKa values for: - Amino acid side chains - Amino acid backbone (N/C terminus) - Nucleic acid phosphate groups

Reference values from biochemistry literature and CRC Handbook.

Functions

get_pka(group_name)	Get pKa value for an ionizable group.
get_terminal_pka(terminal_type[, residue])	Get pKa for a terminal group, optionally adjusted for specific residue.