stko.Torsion

class stko.Torsion(atom1, atom2, atom3, atom4)[source]

Bases: object

Represents a torsion angle in a molecule.

Parameters:

  • atom1 (Atom | None) – First atom in torsion.

  • atom2 (Atom | None) – Second atom in torsion.

  • atom3 (Atom | None) – Third atom in torsion.

  • atom4 (Atom | None) – Fourth atom in torsion.

Methods

get_atom_ids

get_atoms

get_atom_ids()[source]
Return type:

tuple[int, …]

get_atoms()[source]
Return type:

tuple[Atom | None, …]