parmed.structure.Structure ========================== .. currentmodule:: parmed.structure .. autoclass:: Structure .. automethod:: __init__ .. rubric:: Methods .. autosummary:: ~Structure.__init__ ~Structure.add_atom ~Structure.add_atom_to_residue ~Structure.assign_bonds ~Structure.copy ~Structure.createSystem ~Structure.get_box ~Structure.get_coordinates ~Structure.has_NBFIX ~Structure.is_changed ~Structure.join_dihedrals ~Structure.load_dataframe ~Structure.omm_add_constraints ~Structure.omm_angle_force ~Structure.omm_bond_force ~Structure.omm_cmap_force ~Structure.omm_dihedral_force ~Structure.omm_gbsa_force ~Structure.omm_improper_force ~Structure.omm_nonbonded_force ~Structure.omm_out_of_plane_bend_force ~Structure.omm_pi_torsion_force ~Structure.omm_rb_torsion_force ~Structure.omm_set_virtual_sites ~Structure.omm_stretch_bend_force ~Structure.omm_torsion_torsion_force ~Structure.omm_trigonal_angle_force ~Structure.omm_urey_bradley_force ~Structure.prune_empty_terms ~Structure.save ~Structure.split ~Structure.strip ~Structure.to_dataframe ~Structure.unchange ~Structure.update_dihedral_exclusions ~Structure.visualize ~Structure.write_cif ~Structure.write_pdb ~Structure.write_psf .. rubric:: Attributes .. autosummary:: ~Structure.ANGLE_FORCE_GROUP ~Structure.BOND_FORCE_GROUP ~Structure.CMAP_FORCE_GROUP ~Structure.DIHEDRAL_FORCE_GROUP ~Structure.IMPROPER_FORCE_GROUP ~Structure.NONBONDED_FORCE_GROUP ~Structure.OUT_OF_PLANE_BEND_FORCE_GROUP ~Structure.PI_TORSION_FORCE_GROUP ~Structure.RB_TORSION_FORCE_GROUP ~Structure.STRETCH_BEND_FORCE_GROUP ~Structure.TORSION_TORSION_FORCE_GROUP ~Structure.TRIGONAL_ANGLE_FORCE_GROUP ~Structure.UREY_BRADLEY_FORCE_GROUP ~Structure.box ~Structure.box_vectors ~Structure.combining_rule ~Structure.coordinates ~Structure.positions ~Structure.topology ~Structure.velocities ~Structure.view