openforcefield.utils.toolkits.OpenEyeToolkitWrapper =================================================== .. currentmodule:: openforcefield.utils.toolkits .. autoclass:: OpenEyeToolkitWrapper .. automethod:: __init__ .. rubric:: Methods .. autosummary:: ~OpenEyeToolkitWrapper.compute_partial_charges ~OpenEyeToolkitWrapper.compute_partial_charges_am1bcc ~OpenEyeToolkitWrapper.compute_wiberg_bond_orders ~OpenEyeToolkitWrapper.find_smarts_matches ~OpenEyeToolkitWrapper.from_file ~OpenEyeToolkitWrapper.from_file_obj ~OpenEyeToolkitWrapper.from_object ~OpenEyeToolkitWrapper.from_openeye ~OpenEyeToolkitWrapper.from_smiles ~OpenEyeToolkitWrapper.generate_conformers ~OpenEyeToolkitWrapper.is_available ~OpenEyeToolkitWrapper.requires_toolkit ~OpenEyeToolkitWrapper.to_file ~OpenEyeToolkitWrapper.to_file_obj ~OpenEyeToolkitWrapper.to_openeye ~OpenEyeToolkitWrapper.to_smiles ~OpenEyeToolkitWrapper.toolkit_is_available .. rubric:: Attributes .. autosummary:: ~OpenEyeToolkitWrapper.toolkit_file_read_formats ~OpenEyeToolkitWrapper.toolkit_file_write_formats ~OpenEyeToolkitWrapper.toolkit_installation_instructions ~OpenEyeToolkitWrapper.toolkit_name