.. _topology : Topology representations ======================== This module provides different topological representations to translate from external toolkits the different molecular parameters for PELE. .. currentmodule:: peleffy.topology Primary objects --------------- .. autosummary:: :nosignatures: :template: class.rst :toctree: api/autogenerated Molecule Topology Secondary objects ----------------- .. autosummary:: :nosignatures: :template: class.rst :toctree: api/autogenerated Atom Bond Angle Dihedral Proper Improper elements.DummyAtom elements.OFFDihedral elements.OFFProper elements.OFFImproper ZMatrix rotamer.Rotamer rotamer.RotamerLibrary rotamer.MolecularGraph