Public Attributes | |
| h_bond_atom | hb_hydrogen |
| h_bond_atom | donor |
| h_bond_atom | acceptor |
| h_bond_atom | donor_neigh |
| h_bond_atom | acceptor_neigh |
| double | angle_1 |
| double | angle_2 |
| double | angle_3 |
| double | dist |
| bool | ligand_atom_is_donor |
| bool | hydrogen_is_ligand_atom |
| bool | bond_has_hydrogen_flag |