Chemical Systems and Components =============================== We describe a chemical system as being made up of one or more "components," e.g., solvent, protein, or small molecule. The :class:`.ChemicalSystem` object joins components together into a simulation system. .. module:: openfe :noindex: .. autosummary:: :nosignatures: :toctree: generated/ SmallMoleculeComponent ProteinComponent SolventComponent ChemicalSystem Chemical System Generators -------------------------- .. module:: openfe.setup.chemicalsystem_generator .. autosummary:: :nosignatures: :toctree: generated/ EasyChemicalSystemGenerator