parmed.amber.ChamberParm ======================== .. currentmodule:: parmed.amber .. autoclass:: ChamberParm .. automethod:: __init__ .. rubric:: Methods .. autosummary:: ~ChamberParm.__init__ ~ChamberParm.add_atom ~ChamberParm.add_atom_to_residue ~ChamberParm.add_flag ~ChamberParm.assign_bonds ~ChamberParm.copy ~ChamberParm.createSystem ~ChamberParm.delete_flag ~ChamberParm.fill_LJ ~ChamberParm.from_rawdata ~ChamberParm.from_structure ~ChamberParm.get_box ~ChamberParm.get_coordinates ~ChamberParm.has_1012 ~ChamberParm.has_NBFIX ~ChamberParm.id_format ~ChamberParm.initialize_topology ~ChamberParm.is_changed ~ChamberParm.join_dihedrals ~ChamberParm.load_atom_info ~ChamberParm.load_dataframe ~ChamberParm.load_pointers ~ChamberParm.load_rst7 ~ChamberParm.load_structure ~ChamberParm.omm_add_constraints ~ChamberParm.omm_angle_force ~ChamberParm.omm_bond_force ~ChamberParm.omm_cmap_force ~ChamberParm.omm_dihedral_force ~ChamberParm.omm_gbsa_force ~ChamberParm.omm_improper_force ~ChamberParm.omm_nonbonded_force ~ChamberParm.omm_out_of_plane_bend_force ~ChamberParm.omm_pi_torsion_force ~ChamberParm.omm_rb_torsion_force ~ChamberParm.omm_set_virtual_sites ~ChamberParm.omm_stretch_bend_force ~ChamberParm.omm_torsion_torsion_force ~ChamberParm.omm_trigonal_angle_force ~ChamberParm.omm_urey_bradley_force ~ChamberParm.parse ~ChamberParm.prune_empty_terms ~ChamberParm.ptr ~ChamberParm.rdparm ~ChamberParm.rdparm_old ~ChamberParm.rdparm_slow ~ChamberParm.recalculate_LJ ~ChamberParm.rediscover_molecules ~ChamberParm.remake_parm ~ChamberParm.save ~ChamberParm.set_version ~ChamberParm.split ~ChamberParm.strip ~ChamberParm.to_dataframe ~ChamberParm.unchange ~ChamberParm.update_dihedral_exclusions ~ChamberParm.view_as ~ChamberParm.visualize ~ChamberParm.write_cif ~ChamberParm.write_parm ~ChamberParm.write_pdb ~ChamberParm.write_psf ~ChamberParm.write_rst7 .. rubric:: Attributes .. autosummary:: ~ChamberParm.ANGLE_FORCE_GROUP ~ChamberParm.BOND_FORCE_GROUP ~ChamberParm.CMAP_FORCE_GROUP ~ChamberParm.DIHEDRAL_FORCE_GROUP ~ChamberParm.IMPROPER_FORCE_GROUP ~ChamberParm.NONBONDED_FORCE_GROUP ~ChamberParm.OUT_OF_PLANE_BEND_FORCE_GROUP ~ChamberParm.PI_TORSION_FORCE_GROUP ~ChamberParm.RB_TORSION_FORCE_GROUP ~ChamberParm.STRETCH_BEND_FORCE_GROUP ~ChamberParm.TORSION_TORSION_FORCE_GROUP ~ChamberParm.TRIGONAL_ANGLE_FORCE_GROUP ~ChamberParm.UREY_BRADLEY_FORCE_GROUP ~ChamberParm.amoeba ~ChamberParm.angles_inc_h ~ChamberParm.angles_without_h ~ChamberParm.bonds_inc_h ~ChamberParm.bonds_without_h ~ChamberParm.box ~ChamberParm.box_vectors ~ChamberParm.chamber ~ChamberParm.combining_rule ~ChamberParm.coordinates ~ChamberParm.dihedrals_inc_h ~ChamberParm.dihedrals_without_h ~ChamberParm.has_cmap ~ChamberParm.positions ~ChamberParm.topology ~ChamberParm.velocities ~ChamberParm.view