automodel.guess_atom_type() — automatically assign CHARMM atom type

guess_atom_type(atom)

This assigns the CHARMM atom type (see Section 6.24) for the given Atom object (see Section 6.23). By default, this is done by guessing the type based on the atom name, but the method can be overridden to improve the guesses. It is usually called from automodel.guess_atom_types().