QMzymeResidue

class QMzyme.QMzymeRegion.QMzymeResidue(resname, resid, atoms, region, chain=None)

Bases: QMzymeRegion

Subclass of QMzymeRegion.

get_atom(atom_name)

set_chain(value: str)

guess_charge(verbose=True)

read_charges(verbose=True)

get_backbone_atoms(backbone_atoms={'C': 'C', 'CA': 'CA', 'H': 'H', 'HA': 'HA', 'N': 'N', 'O': 'O'})

remove_atom(atom)

Parameters:

atom (QMzymeAtom, required) -- The atom you want to remove from the QMzymeRegion.

Warning

Ths will modify the QMzymeRegion directly.

property removed_atoms