Settings

mollib/hydrogens/settings.py

#: The default optimal length of standard bonds (in Angstroms) for biomolecules
bond_length = {'N-H': 1.023,    # L. Yao, et al. JACS 130, 16518-20 (2008)
               'C-H': 1.117,    # M. Ottiger, et al. JACS 121, 4690-4695 (1999)
               'C-C': 1.517,    # M. Ottiger, et al. JACS 121, 4690-4695 (1999)
               'N-H2': 1.01,    # PK Sawinski, et al. Crys Growth & Design
                                # 13, 1730 (2013)
               'O-H': 0.958,    # MN Frey et al.,  JCP 59, 915-924 (1973).
               'C-N': 1.488,    # MN Frey et al.,  JCP 59, 915-924 (1973).
               'C=O': 1.250,
               'C-O': 1.413,
               }