RegionBuilder

class QMzyme.RegionBuilder.RegionBuilder(name, atom_group=None, universe=None)

property n_residues

property n_atoms

init_atom_group(atom_group)

It is assumed that the atoms in the selection are already unique.

init_atom(atom, uniquify=True)

uniquify_atom(atom_props)

get_atom_properties(atom: _Atom)

get_region()