API Small Molecule#

get_bonded_atom_pairs(group_name, atom_names)

Getting standard intra-group covalent bonded atom pairs for small molecule residues.

get_group_db(group_name)

Getting the internal reference database dictionary for small molecule groups.

is_small_molecule(name)

Check whether a group name corresponds to a small molecule (ligand or cofactor).

small_molecule_is_amino_acid(...)

Checking whether a small molecule residue is categorized as an amino acid.