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