predPRE Namespace Reference

Functions
def	ratio_func (x, R2, ratio)
def	fit (linewidth, ratio)

Variables
float	K = 1.23e-32
int	larmor = 500e3
int	linewidth = 40
int	t = 9e-3
int	R2 = linewidth/pi
int	nres = 0
	pdbname = sys.argv[1]
	label = sys.argv[2]
	label_chain = str(label[-1])
	label_resnum = int(label[:-1])
	FILE = open( pdbname, 'r')
int	labeledx = 0
int	labeledy = 0
int	labeledz = 0
	fields = line.split()
int	MW = nres*110
int	kDa = MW/1000
float	tauc = 0.6e-9 * kDa
	resnum = int(fields[5])
	chain = fields[4]
	x = float(fields[6])
	y = float(fields[7])
	z = float(fields[8])
	dist = sqrt((x-labeledx)**2+(y-labeledy)**2+(z-labeledz)**2)
int	Rconst = 4*tauc+((3*tauc)/(1+larmor**2 * tauc**2))
int	numer = R2*exp(-t*(K/(dist**6)*Rconst))
int	denom = R2+(K/(dist**6)*Rconst)
int	ratio = float(numer)/denom
def	PRE = fit( linewidth, ratio )
int	Iox = ratio*100
int	Ired = 100

Function Documentation

fit()

def predPRE.fit	(		linewidth,
			ratio
	)

ratio_func()

def predPRE.ratio_func	(		x,
			R2,
			ratio
	)

Variable Documentation

chain

predPRE.chain = fields[4]

Referenced by BuriedUnsatPolarsFinder.apply(), zinc_helix_cap.apply(), AnchorFinderMover.apply(), HDmakerMover.apply(), hbs_creator.apply(), aro_pack_pdbstats_from_pose(), ch_o_pdbstats_from_pose(), chain_coords(), create_and_score_fragments(), create_a3b_hbs.delete_extra_residues(), dump_efactor_pdb(), Link.dump_pdb(), PoseWrap.dump_pdb(), dumpsym(), fa_cenpack_pdbstats_from_pose(), InterfaceDDGBindJobInputter.fill_jobs(), find_nearest_res(), demo.D050_Packer_task.generate_resfile_from_pose(), MPInterfaceStatistics.get_chains_from_cmd(), utility.get_resnum_and_chain_and_segid(), utility.get_resnum_and_chain_from_one_tag(), pdbline.getline(), identify_targeted_positions(), FloppyTailMover.init_on_new_input(), interface_energymap(), is_interface_residue(), main(), VallReader.make_fragment_lines(), motif_scan(), non_chain_coords(), output_interface_graphviz(), apps::public1::scenarios::chemically_conjugated_docking.pack_extra_bodies(), parse_pdb_pos(), parse_position(), process_pose(), proline_rama_pdbstats_from_pose(), read_in_extension(), APDBCMover.read_in_insert_loop_info(), rhiju_pdbstats(), rna_stack_pdbstats_from_pose(), setup_slide_mover(), setup_transform_mover(), spanfile_for_each_chain(), GlycanClashCheckMover.tabulate_individual_data(), transform_pose(), and zf_test().

denom

int predPRE.denom = R2+(K/(dist**6)*Rconst)

dist

int predPRE.dist = sqrt((x-labeledx)**2+(y-labeledy)**2+(z-labeledz)**2)

fields

predPRE.fields = line.split()

Referenced by calc_scores(), ui::viewers.parse_score_file(), ScoreFragmentSetMover.run(), ConsensusFragmentMover.run(), and SolutionRescoreMover.run().

FILE

predPRE.FILE = open( pdbname, 'r')

Iox

int predPRE.Iox = ratio*100

Ired

int predPRE.Ired = 100

K

float predPRE.K = 1.23e-32

kDa

int predPRE.kDa = MW/1000

label

predPRE.label = sys.argv[2]

Referenced by MinPackMin.backbone_minimization(), get_label(), harvest_scores(), main(), merge_motifs(), ui::task::ProjectView.on_new_task_clicked(), predict_ss(), print_ddgs(), MinPackMin.rigid_body_minimization(), sicdock_thread_num(), basic::Emitter.start_list(), basic::Emitter.start_map(), svm_check_parameter(), svm_cross_validation(), svm_get_labels(), svm_group_classes(), svm_train(), basic::Emitter.write(), and basic::Emitter.write_label().

label_chain

string predPRE.label_chain = str(label[-1])

label_resnum

predPRE.label_resnum = int(label[:-1])

labeledx

predPRE.labeledx = 0

labeledy

predPRE.labeledy = 0

labeledz

predPRE.labeledz = 0

larmor

int predPRE.larmor = 500e3

linewidth

int predPRE.linewidth = 40

MW

int predPRE.MW = nres*110

nres

int predPRE.nres = 0

numer

int predPRE.numer = R2*exp(-t*(K/(dist**6)*Rconst))

Referenced by main().

pdbname

predPRE.pdbname = sys.argv[1]

Referenced by myspace::Scheduler.accept_and_report(), IAMover.apply(), XMLprinterMover.apply(), AnchorFinderMover.apply(), byres_analysis(), myspace.check_clash(), decompose(), myspace.evaluate_and_write(), ga_main(), main(), minimize_test(), MSA_design_main(), PhProtocol.prepack_pose(), PhProtocol.relax_pose(), repack_test(), report_and_dump(), RotamerAnalysis(), run(), myspace::Scheduler.run_LHeval(), myspace::Scheduler.run_NM_evalmodes(), run_parallel_docking(), myspace.scan_Evalue(), scan_hbond_jumps(), sequence_tolerance_main(), sequence_tolerance_mf_main(), ss_test(), and test_NMrelaxer().

PRE

def predPRE.PRE = fit( linewidth, ratio )

R2

int predPRE.R2 = linewidth/pi

Referenced by numeric.alignVectorSets(), numeric::kinematic_closure::radians.bridge_objects(), numeric::kinematic_closure.bridgeObjects(), numeric::kinematic_closure.build_dixon_matrices(), design_hits(), numeric::kinematic_closure.dixon_eig(), dock(), dumpsym(), dumpsym2(), dumpsym6(), find_dsf(), CrystFFTDock.get_transform_distance(), iface_check_c3(), main(), and run().

ratio

int predPRE.ratio = float(numer)/denom

Rconst

int predPRE.Rconst = 4*tauc+((3*tauc)/(1+larmor**2 * tauc**2))

resnum

predPRE.resnum = int(fields[5])

Referenced by HemeBindingMover.add_initial_constraints(), HotspotPlacementMover.apply(), GlycanClashCheckMover.apply(), RNA_ScoreMover.apply(), BacksideHbondFinderMover.apply(), close_loops(), compute_sasa(), compute_sixAneighbors(), compute_tenAneighbors(), compute_twelveAneighbors(), define_interface(), dump_ddg_pdb(), SetupHotspotMover.generate_csts(), get_attachment_point_string(), get_mutations_from_file(), get_pose_and_numbering(), utility.get_resnum_and_chain_and_segid(), utility.get_resnum_and_chain_from_one_tag(), utility.get_resnum_and_segid(), utility.get_resnum_and_segid_from_one_tag(), zinc_stats::ZincStatisticGenerator.iterate_over_residues(), KIC_loop_close(), ligand_rmsd(), main(), output_packstat_pdb(), CalcsTestMover.pretty_print(), read_in_mutations(), zinc_stats::ZincStatisticGenerator.recursively_model_rotamer_chis(), utility::options::ResidueChainVectorOption.resnum_and_chain(), RunPepSpec(), HemeReplace.setup_task_factory(), GlycanClashCheckMover.tabulate_individual_data(), test(), test_membrane_conformation(), GlycanClashCheckMover.total_atom_clashes(), GlycanClashCheckMover.total_residue_clashes(), utility::options::ResidueChainVectorOption.value_of(), and write_for_resnum().

t

int predPRE.t = 9e-3

Referenced by utility::vectorL< L, T, A >.add_back(), add_Cu_chains(), binder.add_relevant_includes(), add_symm_sf4(), add_symm_zns(), GunnTest.apply(), HolesTrainingDataMover.apply(), FindOptimalHydrophobicThk.apply(), ConstraintConfig.apply_bb_csts(), ConstraintConfig.apply_cen_csts(), ConstraintConfig.apply_fa_csts(), ObjexxFCL::FArray1A< T >.attach(), ObjexxFCL::FArray1P< T >.attach(), ObjexxFCL::FArray2A< T >.attach(), ObjexxFCL::FArray2P< T >.attach(), ObjexxFCL::FArray3A< T >.attach(), ObjexxFCL::FArray3P< T >.attach(), ObjexxFCL::FArray4A< T >.attach(), ObjexxFCL::FArray4P< T >.attach(), ObjexxFCL::FArray5A< T >.attach(), ObjexxFCL::FArray5P< T >.attach(), ObjexxFCL::FArray6A< T >.attach(), ObjexxFCL::FArray6P< T >.attach(), ObjexxFCL::FArray< T >.attach(), binder.base_default_default_constructor_available(), binder::ClassBinder.bind(), binder::ClassBinder.bind_with(), ObjexxFCL::format.bite(), calculate_helical_parameters(), ObjexxFCL::CArray< T >.CArray(), ObjexxFCL::CArrayP< T >.CArrayP(), check_6D_potential(), CL.CL(), utility::options::OptionCollection.cleaned(), GunnTest.computeGunnTuples(), utility::vectorL< L, T, A >.contains(), numeric::crick_equations.COSFXN(), MatchSet.cross(), cxdock_design(), dab_sasa(), ObjexxFCL::FArray6D< T >.dimension(), ObjexxFCL::KeyFArray6D< T >.dimension(), ObjexxFCL::FArray5D< T >.dimension(), ObjexxFCL::KeyFArray5D< T >.dimension(), ObjexxFCL::FArray4D< T >.dimension(), ObjexxFCL::KeyFArray4D< T >.dimension(), ObjexxFCL::FArray3D< T >.dimension(), ObjexxFCL::KeyFArray3D< T >.dimension(), ObjexxFCL::FArray2D< T >.dimension(), ObjexxFCL::KeyFArray2D< T >.dimension(), ObjexxFCL::FArray1D< T >.dimension(), ObjexxFCL::KeyFArray1D< T >.dimension(), do_work(), dock(), dot_sasa(), TCDock.dump_pdb(), dump_points_pdb(), numeric::crick_equations.dx_ddelta_omega1(), numeric::crick_equations.dx_domega1(), numeric::crick_equations.dx_dr1(), numeric::crick_equations.dy_ddelta_omega1(), numeric::crick_equations.dy_domega1(), numeric::crick_equations.dy_dr1(), numeric::crick_equations.dz_ddz1(), ObjexxFCL::format.E(), ObjexxFCL::Fstring.equal(), ObjexxFCL.equal(), ObjexxFCL.equali(), utility::file.equali(), numeric::model_quality.erfcc(), numeric::statistics.erfcx_y100(), basic::sampling::orientations::Quaternion.euler(), PerformanceBenchmark.execute(), ObjexxFCL::format.F(), ObjexxFCL::FArray1D< T >.FArray1D(), ObjexxFCL::FArray2D< T >.FArray2D(), ObjexxFCL::FArray3D< T >.FArray3D(), ObjexxFCL::FArray4D< T >.FArray4D(), ObjexxFCL::FArray5D< T >.FArray5D(), ObjexxFCL::FArray6D< T >.FArray6D(), ObjexxFCL.fixed_Fstring_of(), ObjexxFCL.fixed_string_of(), rosetta_binders.fixedsizearray_add_on_binder(), basic_printf_context< OutputIt, Char >.format(), utility.from_string(), ObjexxFCL.Fstring_of(), ObjexxFCL.Fstring_of< std::string >(), ObjexxFCL::format.G(), ga_main(), ObjexxFCL.general_Fstring_of(), ObjexxFCL.general_string_of(), utility.get_current_date(), get_filename(), binder.get_type_dependencies(), get_vallfrags(), binder::Context.global_insertion_operator(), gmtime(), gpu_refold_test(), gpu_score_test(), ObjexxFCL.has(), ObjexxFCL.has_any_of(), has_element(), utility::vectorL< L, bool, A >.has_value(), utility::vector1< T, A >.has_value(), numeric.hsv_to_rgb(), ObjexxFCL::format.I(), ik_arg_asp_frnt(), ik_arg_asp_side(), ik_arg_glu_frnt(), ik_arg_glu_side(), utility::vector1< bool, A >.index(), utility::vector1< T, A >.index(), utility::vectorL< L, T, A >.index_of(), ObjexxFCL::FArray1D< T >.initializer(), ObjexxFCL::FArray2D< T >.initializer(), ObjexxFCL::FArray3D< T >.initializer(), ObjexxFCL::FArray4D< T >.initializer(), ObjexxFCL::FArray5D< T >.initializer(), ObjexxFCL::FArray6D< T >.initializer(), ObjexxFCL::KeyFArray1D< T >.initializer(), ObjexxFCL::KeyFArray2D< T >.initializer(), ObjexxFCL::KeyFArray3D< T >.initializer(), ObjexxFCL::KeyFArray4D< T >.initializer(), ObjexxFCL::KeyFArray5D< T >.initializer(), ObjexxFCL::KeyFArray6D< T >.initializer(), intersecting_bpy_axes(), intersecting_disulfide_axes(), detail.is_arithmetic_type(), binder.is_binding_requested(), detail.is_integral_type(), binder.is_skipping_requested(), binder.is_std_function_bindable(), ObjexxFCL::Fstring.is_type(), ObjexxFCL.is_type(), ObjexxFCL::FArray< T >.is_uniform(), jacobi(), numeric.jacobi_rotation(), ObjexxFCL::KeyFArray1D< T >.KeyFArray1D(), ObjexxFCL::KeyFArray2D< T >.KeyFArray2D(), ObjexxFCL::KeyFArray3D< T >.KeyFArray3D(), ObjexxFCL::KeyFArray4D< T >.KeyFArray4D(), ObjexxFCL::KeyFArray5D< T >.KeyFArray5D(), ObjexxFCL::KeyFArray6D< T >.KeyFArray6D(), numeric::fourier.kf_bfly2(), numeric::fourier.kf_bfly_generic(), ObjexxFCL::format.L(), ObjexxFCL.lead_zero_Fstring_of(), ObjexxFCL.lead_zero_string_of(), ObjexxFCL.left_Fstring_of(), ObjexxFCL.left_string_of(), ObjexxFCL.lge(), ObjexxFCL.lgt(), line_cone_intersection(), ObjexxFCL::format.LJ(), ObjexxFCL.lle(), ObjexxFCL.llt(), localtime(), ObjexxFCL.lowercased(), main(), numeric::model_quality.maxsub(), rosetta_binders::utility_vector_binder< Vector, L, T, Allocator >.maybe_has_equal_operator(), utility::options::OptionCollection.merged(), move_pose(), multiclass_probability(), utility::options::OptionCollection.n_part_prefix_match(), basic::sampling::orientations::Quaternion.Normalize(), ui::task::ProjectView.on_clone_task_clicked(), ui::task::ProjectView.on_delete_task_clicked(), utility::json_spirit::Value_impl< Config >::Variant_converter_visitor.operator()(), utility::keys::KeyLess< T, U >.operator()(), utility::keys::PointerKeyLess< T, U >.operator()(), numeric::interpolation::TempStruct< T, N >.operator()(), numeric::xyzMatrix< T >.operator*(), ObjexxFCL::CArray< T >.operator*=(), ObjexxFCL::CArrayP< T >.operator*=(), ObjexxFCL::FArray< T >.operator*=(), ObjexxFCL::FArray1< T >.operator*=(), ObjexxFCL::FArray1A< T >.operator*=(), ObjexxFCL::FArray1D< T >.operator*=(), ObjexxFCL::FArray1P< T >.operator*=(), ObjexxFCL::FArray2< T >.operator*=(), ObjexxFCL::FArray2A< T >.operator*=(), ObjexxFCL::FArray2D< T >.operator*=(), ObjexxFCL::FArray2P< T >.operator*=(), ObjexxFCL::FArray3< T >.operator*=(), ObjexxFCL::FArray3A< T >.operator*=(), ObjexxFCL::FArray3D< T >.operator*=(), ObjexxFCL::FArray3P< T >.operator*=(), ObjexxFCL::FArray4< T >.operator*=(), ObjexxFCL::FArray4A< T >.operator*=(), ObjexxFCL::FArray4D< T >.operator*=(), ObjexxFCL::FArray4P< T >.operator*=(), ObjexxFCL::FArray5< T >.operator*=(), ObjexxFCL::FArray5A< T >.operator*=(), ObjexxFCL::FArray5D< T >.operator*=(), ObjexxFCL::FArray5P< T >.operator*=(), ObjexxFCL::FArray6< T >.operator*=(), ObjexxFCL::FArray6A< T >.operator*=(), ObjexxFCL::FArray6D< T >.operator*=(), ObjexxFCL::FArray6P< T >.operator*=(), ObjexxFCL::KeyFArray1D< T >.operator*=(), ObjexxFCL::KeyFArray2D< T >.operator*=(), ObjexxFCL::KeyFArray3D< T >.operator*=(), ObjexxFCL::KeyFArray4D< T >.operator*=(), ObjexxFCL::KeyFArray5D< T >.operator*=(), ObjexxFCL::KeyFArray6D< T >.operator*=(), numeric::sphericalVector< T >.operator*=(), numeric::xyzMatrix< T >.operator*=(), numeric::xyzTriple< T >.operator*=(), numeric::xyzVector< T >.operator*=(), numeric::xyzMatrix< T >.operator+(), ObjexxFCL::CArray< T >.operator+=(), ObjexxFCL::CArrayP< T >.operator+=(), ObjexxFCL::FArray< T >.operator+=(), ObjexxFCL::FArray1< T >.operator+=(), ObjexxFCL::FArray1A< T >.operator+=(), ObjexxFCL::FArray1D< T >.operator+=(), ObjexxFCL::FArray1P< T >.operator+=(), ObjexxFCL::FArray2< T >.operator+=(), ObjexxFCL::FArray2A< T >.operator+=(), ObjexxFCL::FArray2D< T >.operator+=(), ObjexxFCL::FArray2P< T >.operator+=(), ObjexxFCL::FArray3< T >.operator+=(), ObjexxFCL::FArray3A< T >.operator+=(), ObjexxFCL::FArray3D< T >.operator+=(), ObjexxFCL::FArray3P< T >.operator+=(), ObjexxFCL::FArray4< T >.operator+=(), ObjexxFCL::FArray4A< T >.operator+=(), ObjexxFCL::FArray4D< T >.operator+=(), ObjexxFCL::FArray4P< T >.operator+=(), ObjexxFCL::FArray5< T >.operator+=(), ObjexxFCL::FArray5A< T >.operator+=(), ObjexxFCL::FArray5D< T >.operator+=(), ObjexxFCL::FArray5P< T >.operator+=(), ObjexxFCL::FArray6< T >.operator+=(), ObjexxFCL::FArray6A< T >.operator+=(), ObjexxFCL::FArray6D< T >.operator+=(), ObjexxFCL::FArray6P< T >.operator+=(), ObjexxFCL::KeyFArray1D< T >.operator+=(), ObjexxFCL::KeyFArray2D< T >.operator+=(), ObjexxFCL::KeyFArray3D< T >.operator+=(), ObjexxFCL::KeyFArray4D< T >.operator+=(), ObjexxFCL::KeyFArray5D< T >.operator+=(), ObjexxFCL::KeyFArray6D< T >.operator+=(), numeric::sphericalVector< T >.operator+=(), numeric::xyzMatrix< T >.operator+=(), numeric::xyzTriple< T >.operator+=(), numeric::xyzVector< T >.operator+=(), numeric::xyzMatrix< T >.operator-(), ObjexxFCL::CArray< T >.operator-=(), ObjexxFCL::CArrayP< T >.operator-=(), ObjexxFCL::FArray< T >.operator-=(), ObjexxFCL::FArray1< T >.operator-=(), ObjexxFCL::FArray1A< T >.operator-=(), ObjexxFCL::FArray1D< T >.operator-=(), ObjexxFCL::FArray1P< T >.operator-=(), ObjexxFCL::FArray2< T >.operator-=(), ObjexxFCL::FArray2A< T >.operator-=(), ObjexxFCL::FArray2D< T >.operator-=(), ObjexxFCL::FArray2P< T >.operator-=(), ObjexxFCL::FArray3< T >.operator-=(), ObjexxFCL::FArray3A< T >.operator-=(), ObjexxFCL::FArray3D< T >.operator-=(), ObjexxFCL::FArray3P< T >.operator-=(), ObjexxFCL::FArray4< T >.operator-=(), ObjexxFCL::FArray4A< T >.operator-=(), ObjexxFCL::FArray4D< T >.operator-=(), ObjexxFCL::FArray4P< T >.operator-=(), ObjexxFCL::FArray5< T >.operator-=(), ObjexxFCL::FArray5A< T >.operator-=(), ObjexxFCL::FArray5D< T >.operator-=(), ObjexxFCL::FArray5P< T >.operator-=(), ObjexxFCL::FArray6< T >.operator-=(), ObjexxFCL::FArray6A< T >.operator-=(), ObjexxFCL::FArray6D< T >.operator-=(), ObjexxFCL::FArray6P< T >.operator-=(), ObjexxFCL::KeyFArray1D< T >.operator-=(), ObjexxFCL::KeyFArray2D< T >.operator-=(), ObjexxFCL::KeyFArray3D< T >.operator-=(), ObjexxFCL::KeyFArray4D< T >.operator-=(), ObjexxFCL::KeyFArray5D< T >.operator-=(), ObjexxFCL::KeyFArray6D< T >.operator-=(), numeric::sphericalVector< T >.operator-=(), numeric::xyzMatrix< T >.operator-=(), numeric::xyzTriple< T >.operator-=(), numeric::xyzVector< T >.operator-=(), numeric::xyzMatrix< T >.operator/(), ObjexxFCL::CArray< T >.operator/=(), ObjexxFCL::CArrayP< T >.operator/=(), ObjexxFCL::FArray< T >.operator/=(), ObjexxFCL::FArray1< T >.operator/=(), ObjexxFCL::FArray1A< T >.operator/=(), ObjexxFCL::FArray1D< T >.operator/=(), ObjexxFCL::FArray1P< T >.operator/=(), ObjexxFCL::FArray2< T >.operator/=(), ObjexxFCL::FArray2A< T >.operator/=(), ObjexxFCL::FArray2D< T >.operator/=(), ObjexxFCL::FArray2P< T >.operator/=(), ObjexxFCL::FArray3< T >.operator/=(), ObjexxFCL::FArray3A< T >.operator/=(), ObjexxFCL::FArray3D< T >.operator/=(), ObjexxFCL::FArray3P< T >.operator/=(), ObjexxFCL::FArray4< T >.operator/=(), ObjexxFCL::FArray4A< T >.operator/=(), ObjexxFCL::FArray4D< T >.operator/=(), ObjexxFCL::FArray4P< T >.operator/=(), ObjexxFCL::FArray5< T >.operator/=(), ObjexxFCL::FArray5A< T >.operator/=(), ObjexxFCL::FArray5D< T >.operator/=(), ObjexxFCL::FArray5P< T >.operator/=(), ObjexxFCL::FArray6< T >.operator/=(), ObjexxFCL::FArray6A< T >.operator/=(), ObjexxFCL::FArray6D< T >.operator/=(), ObjexxFCL::FArray6P< T >.operator/=(), ObjexxFCL::KeyFArray1D< T >.operator/=(), ObjexxFCL::KeyFArray2D< T >.operator/=(), ObjexxFCL::KeyFArray3D< T >.operator/=(), ObjexxFCL::KeyFArray4D< T >.operator/=(), ObjexxFCL::KeyFArray5D< T >.operator/=(), ObjexxFCL::KeyFArray6D< T >.operator/=(), numeric::sphericalVector< T >.operator/=(), numeric::xyzMatrix< T >.operator/=(), numeric::xyzTriple< T >.operator/=(), numeric::xyzVector< T >.operator/=(), numeric.operator<<(), utility::io::mpi_stream::basic_mpi_ostream< Elem, Tr, ElemA, ByteT, ByteAT >.operator<<(), utility::io::ocstream.operator<<(), utility::io::orstream.operator<<(), utility::io::ozstream.operator<<(), zlib_stream::basic_zip_ostream< Elem, Tr, ElemA, ByteT, ByteAT >.operator<<(), ObjexxFCL::CArray< T >.operator=(), ObjexxFCL::CArrayP< T >.operator=(), ObjexxFCL::FArray< T >.operator=(), ObjexxFCL::FArray1< T >.operator=(), ObjexxFCL::FArray1A< T >.operator=(), ObjexxFCL::FArray1D< T >.operator=(), ObjexxFCL::FArray1P< T >.operator=(), ObjexxFCL::FArray2< T >.operator=(), ObjexxFCL::FArray2A< T >.operator=(), ObjexxFCL::FArray2D< T >.operator=(), ObjexxFCL::FArray2P< T >.operator=(), ObjexxFCL::FArray3< T >.operator=(), ObjexxFCL::FArray3A< T >.operator=(), ObjexxFCL::FArray3D< T >.operator=(), ObjexxFCL::FArray3P< T >.operator=(), ObjexxFCL::FArray4< T >.operator=(), ObjexxFCL::FArray4A< T >.operator=(), ObjexxFCL::FArray4D< T >.operator=(), ObjexxFCL::FArray4P< T >.operator=(), ObjexxFCL::FArray5< T >.operator=(), ObjexxFCL::FArray5A< T >.operator=(), ObjexxFCL::FArray5D< T >.operator=(), ObjexxFCL::FArray5P< T >.operator=(), ObjexxFCL::FArray6< T >.operator=(), ObjexxFCL::FArray6A< T >.operator=(), ObjexxFCL::FArray6D< T >.operator=(), ObjexxFCL::FArray6P< T >.operator=(), ObjexxFCL::KeyFArray1D< T >.operator=(), ObjexxFCL::KeyFArray2D< T >.operator=(), ObjexxFCL::KeyFArray3D< T >.operator=(), ObjexxFCL::KeyFArray4D< T >.operator=(), ObjexxFCL::KeyFArray5D< T >.operator=(), ObjexxFCL::KeyFArray6D< T >.operator=(), numeric::sphericalVector< T >.operator=(), numeric::xyzMatrix< T >.operator=(), numeric::xyzTriple< T >.operator=(), numeric::xyzVector< T >.operator=(), numeric.operator>>(), utility::io::icstream.operator>>(), utility::io::irstream.operator>>(), utility::io::izstream.operator>>(), utility::json_spirit::Generator< Value_type, Ostream_type >.output_array_or_obj(), ObjexxFCL.overlay(), utility.pad_left(), utility.pad_right(), ui::task::PNode.PNode(), numeric::kinematic_closure.point_value16(), numeric::kinematic_closure.point_value2(), numeric::kinematic_closure.point_value4(), numeric::kinematic_closure.point_value6(), numeric::kinematic_closure.point_value8(), utility::vectorL< L, T, A >.pop(), powi(), DisulfideBondEnergy.probability(), basic.prof_show(), ui::task::FunctorSequence.progress(), ui::task::FunctorASyncSequence.progress(), basic::sampling::orientations::QuaternionGrid.QuaternionGrid(), basic::YamlEmitter.quote_string(), basic::JsonEmitter.quote_string(), numeric::linear_algebra.qzhes(), numeric::linear_algebra.qzit(), numeric::linear_algebra.qzval(), numeric::linear_algebra.qzvec(), numeric.read_row(), ObjexxFCL::FArray6D< T >.redimension(), ObjexxFCL::KeyFArray6D< T >.redimension(), ObjexxFCL::FArray5D< T >.redimension(), ObjexxFCL::KeyFArray5D< T >.redimension(), ObjexxFCL::FArray4D< T >.redimension(), ObjexxFCL::KeyFArray4D< T >.redimension(), ObjexxFCL::FArray3D< T >.redimension(), ObjexxFCL::KeyFArray3D< T >.redimension(), ObjexxFCL::FArray2D< T >.redimension(), ObjexxFCL::KeyFArray2D< T >.redimension(), ObjexxFCL::FArray1D< T >.redimension(), ObjexxFCL::KeyFArray1D< T >.redimension(), numeric.remainder_conversion(), ObjexxFCL.remainder_conversion(), detail::dragonbox.remove_trailing_zeros(), rescore_test(), ObjexxFCL.right_Fstring_of(), ObjexxFCL.right_string_of(), ObjexxFCL::format.RJ(), numeric::model_quality.rms_fit(), numeric::model_quality.rmsfitca2(), numeric::model_quality.rmsfitca3(), rna_fullatom_minimize_silent_test(), run(), core::pack::annealer::FixbbSimAnnealer.run(), run_3bpy(), run_sf4h(), ObjexxFCL.rvalue_cast(), numeric::sphericalVector< T >.scaled_add(), numeric::xyzTriple< T >.scaled_add(), numeric::xyzVector< T >.scaled_add(), numeric::sphericalVector< T >.scaled_assign(), numeric::xyzTriple< T >.scaled_assign(), numeric::xyzVector< T >.scaled_assign(), numeric::sphericalVector< T >.scaled_sub(), numeric::xyzTriple< T >.scaled_sub(), numeric::xyzVector< T >.scaled_sub(), ObjexxFCL.scientific_Fstring_of(), ObjexxFCL.scientific_string_of(), CapriTotalEnergy.score_experimental_constraints(), Solver.select_working_set(), Solver_NU.select_working_set(), sequence_tolerance_main(), sequence_tolerance_mf_main(), pyrosetta.Set(), numeric::HomogeneousTransform< T >.set_transform(), CapriTotalEnergy.setup_rna_atoms_for_pose(), sicdock_thread_num(), sigmoid_train(), numeric::crick_equations.SINFXN(), numeric::xyzTriple< T >.square(), numeric::xyzVector< T >.square(), ObjexxFCL::format.SS(), str(), ObjexxFCL.string_of(), utility.string_split(), ObjexxFCL::format.SW(), numeric::Quaternion< T >.swap(), swap(), binder.template_argument_to_string(), binder.template_specialization(), test(), test_find_neighbors(), numeric::kinematic_closure.test_point_value2(), testone(), basic::gpu::Timer.Timer(), utility.timestamp_millis(), utility.timestamp_millis_short(), utility.to_string(), utility.to_string< char >(), transform_pose(), numeric::geometry::BoundingBox< T >.translate(), ObjexxFCL::Fstring.type_of(), ObjexxFCL.type_of(), ui::task::ProjectTasksModel.update_from_tasks(), ObjexxFCL.uppercased(), rosetta_binders::utility_vector_binder< Vector, L, T, Allocator >.utility_vector_binder(), pyrosetta.Vector1(), visualize(), numeric::statistics.w_im_y100(), numeric::crick_equations.x(), numeric::crick_equations.X_BUNDLE(), Xpos(), numeric::crick_equations.xyz(), numeric::crick_equations.XYZ_BUNDLE(), rosetta_binders.xyzVector_add_on_binder(), numeric::crick_equations.y(), numeric::crick_equations.Y_BUNDLE(), Ypos(), numeric::crick_equations.z(), numeric::crick_equations.Z_BUNDLE(), and Zpos().

tauc

float predPRE.tauc = 0.6e-9 * kDa

x

predPRE.x = float(fields[6])

y

predPRE.y = float(fields[7])

Referenced by TCDock.__dock_base__(), numeric::interpolation::spline::SplineGenerator.add_known_value(), LoopHash_Analyze.apply(), CrystFFTDock.apply(), apply_rigid_body_settings(), apply_rotation(), benzene_pair_score_test(), numeric::interpolation.bilinearly_interpolated(), ObjexxFCL::bit.bit_and(), ObjexxFCL::bit.bit_or(), ObjexxFCL::bit.bit_xor(), ch_o_pdbstats_from_pose(), change_floating_sc_geometry(), check_contact_and_output(), numeric::geometry::hashing::xyzStripeHash.clash(), numeric::geometry::hashing::xyzStripeHash.clash_amount(), numeric::geometry::hashing::xyzStripeHash.clash_check_ball(), numeric::geometry::hashing::xyzStripeHash.clash_not_resid(), numeric::geometry::hashing::xyzStripeHash.clash_raw(), comp(), numeric::interpolation::spline::Interpolator.compute_lb_function_solution(), numeric::interpolation::spline::Interpolator.compute_ub_function_solution(), numeric::geometry::BoundingBox< T >.contains(), convex_hull(), utility.copysign(), correct_dunbrack(), correct_rama(), correlation_coefficient(), ObjexxFCL.cross(), ObjexxFCL.cross_product(), DockFragmentsMover.cut_from_map(), ObjexxFCL.date(), numeric::statistics.Dawson(), numeric::interpolation::Histogram< X, Y >.derivative(), numeric::interpolation::Histogram< X, Y >.derivative_linear(), numeric::interpolation::spline::BicubicSpline.dFdx(), numeric::interpolation::spline::TricubicSpline.dFdx(), numeric::interpolation::spline::BicubicSpline.dFdy(), numeric::interpolation::spline::TricubicSpline.dFdy(), numeric::interpolation::spline::TricubicSpline.dFdz(), numeric.dihedral_radians(), dock(), dump_pdb_atom(), dump_points_pdb(), dump_points_pdb_contacts(), TCDock.dump_top_hits(), numeric.eq_tol(), ObjexxFCL.eq_tol(), numeric::statistics.errf(), numeric::statistics.errfc(), basic::sampling::orientations::Quaternion.euler(), numeric::interpolation::spline::BicubicSpline.F(), numeric::interpolation::spline::TricubicSpline.F(), numeric.FArray_to_vector_of_xyzvectors(), numeric::FastRemainderSelector< T, bool >.fast_remainder(), numeric::FastRemainderSelector< T, true >.fast_remainder(), numeric.fast_remainder(), ObjexxFCL::FastRemainderSelector< T, bool >.fast_remainder(), ObjexxFCL::FastRemainderSelector< T, true >.fast_remainder(), ObjexxFCL.fast_remainder(), numeric::interpolation::spline::BicubicSpline.FdF(), numeric::geometry::hashing::xyzStripeHash.fill_pairs(), for(), numeric.ge_tol(), ObjexxFCL.ge_tol(), get_axis_angle(), get_base_coordinate_system(), get_base_pair_coordinate_system(), CrystFFTDock.get_clash_score_exact(), Arch.get_disp_dofs(), ArchP6_32.get_disp_dofs(), ArchP4_42.get_disp_dofs(), get_element_coords(), get_hbond_rotation_samples(), numeric::interpolation::spline::SplineGenerator.get_interpolator(), get_models(), get_phosphate_stub(), get_point_groups(), get_zn_axes(), grid_matcher(), zinc1_homodimer_design.gridsearch_rollmove_angles(), numeric.gt_tol(), ObjexxFCL.gt_tol(), ik_his4(), numeric::geometry::hashing::xyzStripeHash.init(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >.init(), initialize_for_grid_matcher(), InterfaceHit.InterfaceHit(), numeric::interpolation::spline::CompoundInterpolator.interpolate(), numeric::interpolation::Histogram< X, Y >.interpolate(), basic.interpolate_2d_func_of_angles(), numeric::interpolation::Histogram< X, Y >.interpolate_flat(), numeric::interpolation::Histogram< X, Y >.interpolate_linear(), numeric::interpolation::Histogram< X, Y >.interpolate_spline(), numeric::MathMatrix< T >.inverse_tridiagonal_matrix(), Kernel.k_function(), kono_sarai_stats(), kono_sarai_zscore(), numeric.le_tol(), ObjexxFCL.le_tol(), numeric::xyzMatrix< T >.left_multiply_by(), numeric::xyzMatrix< T >.left_multiply_by_transpose(), length2f(), lengthf(), load_coordinates_from_database(), numeric.lt_tol(), ObjexxFCL.lt_tol(), main(), VallReader.make_fragment_lines(), VallReader.make_nmer_profile(), map_morph(), max(), mg_pdbstats_from_pose(), min(), min_energy(), min_mod(), Mod(), numeric::ModSelector< T, bool >.mod(), numeric::ModSelector< T, true >.mod(), numeric.mod(), ObjexxFCL::ModSelector< T, bool >.mod(), ObjexxFCL::ModSelector< T, true >.mod(), ObjexxFCL.mod(), detail.mod(), numeric::ModuloSelector< T, bool >.modulo(), numeric::ModuloSelector< T, true >.modulo(), numeric.modulo(), ObjexxFCL::ModuloSelector< T, bool >.modulo(), ObjexxFCL::ModuloSelector< T, true >.modulo(), ObjexxFCL.modulo(), ui::ui_protocols::helical_bundle::HelicalBundlePoseDrawOpenGLWidget.mouseMoveEvent(), numeric::geometry::hashing::xyzStripeHash.nbcount(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >.nbcount(), numeric::geometry::hashing::xyzStripeHash.nbcount_raw(), basic::sampling::orientations::Quaternion.Normalize(), nucleobase_probe_score_test(), octree_test(), numeric::kdtree::CompareKDPoints.operator()(), detail.operator*(), numeric::xyzMatrix< T >.operator*=(), operator<(), detail.operator==(), pca_align_BROKEN(), KinFunGroupTK.place_c(), pos_mod(), PoseWrap.PoseWrap(), basic::sampling::orientations::Quaternion.Print(), CrystFFTDock.project_along_axis(), numeric::linear_algebra.qzvec(), randomly_shift_and_tilt_pose(), randomly_shift_and_tilt_poses(), read_embeddings(), numeric::interpolation::Histogram< X, Y >.read_from_db(), read_jumpcut_file(), read_membrane(), read_parameters(), read_patchdock_entry(), read_penalties(), numeric.read_row(), read_sphere(), PickSSE.readSSE(), numeric::RemainderSelector< T, bool >.remainder(), numeric::RemainderSelector< T, true >.remainder(), numeric.remainder(), ObjexxFCL::RemainderSelector< T, bool >.remainder(), ObjexxFCL::RemainderSelector< T, true >.remainder(), ObjexxFCL.remainder(), CrystFFTDock.resample_maps_and_get_self(), numeric::xyzMatrix< T >.right_multiply_by(), numeric::xyzMatrix< T >.right_multiply_by_transpose(), rna_stack_pdbstats_from_pose(), rotatePoint(), basic::sampling::orientations::Quaternion.rotation_matrix(), run(), TCDock.run(), run_pep_prep(), run_sf4h(), numeric::geometry::hashing::xyzStripeHash.sanity_check(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >.sanity_check(), numeric.serialize(), CrystFFTDock.setup_maps(), setup_symmetric_dimer(), numeric::VoxelGrid< T >.SetupGrid(), sf2multivec(), ObjexxFCL.sign(), solve_c_svc(), solve_epsilon_svr(), solve_nu_svc(), solve_nu_svr(), sphere_coverage(), SphereSampler.SphereSampler(), numeric::interpolation::spline.spline_interpolate(), numeric::interpolation::spline.spline_second_derivative(), utility.string2uint(), basic::svd::SVD_Solver.svdcmp(), numeric::linear_algebra.svdcmp(), swap(), InterfaceHit.to_string(), numeric::kinematic_closure.torsion(), numeric::kinematic_closure::radians.torsion(), CrystFFTDock.transform_map(), CrystFFTDock.transform_map_offset0(), detail::dragonbox.umul128(), detail::dragonbox.umul128_upper64(), detail::dragonbox.umul192_middle64(), detail::dragonbox.umul192_upper64(), detail::dragonbox.umul96_lower64(), detail::dragonbox.umul96_upper32(), numeric::UniformRotationSampler.UniformRotationSampler(), ui::viewers::ScoreFileView.update_ui_from_file_data(), numeric.vector_of_xyzvectors_to_FArray(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >.visit(), numeric::geometry::hashing::xyzStripeHash.visit(), numeric::geometry::hashing::xyzStripeHash.visit_lax(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >.visit_lax(), numeric::statistics.w(), and write_for_resnum().

z

predPRE.z = float(fields[8])

Referenced by TCDock.__dock_base__(), LoopHash_Analyze.apply(), CrystFFTDock.apply(), apply_rigid_body_settings(), apply_rotation(), benzene_pair_score_test(), HubDenovo.cen_fold(), ch_o_pdbstats_from_pose(), change_floating_sc_geometry(), check_contact_and_output(), numeric::geometry::hashing::xyzStripeHash.clash(), numeric::geometry::hashing::xyzStripeHash.clash_amount(), numeric::geometry::hashing::xyzStripeHash.clash_check_ball(), numeric::geometry::hashing::xyzStripeHash.clash_not_resid(), numeric::geometry::hashing::xyzStripeHash.clash_raw(), numeric::geometry::BoundingBox< T >.contains(), convex_hull(), ObjexxFCL.cross(), ObjexxFCL.cross_product(), DockFragmentsMover.cut_from_map(), numeric::statistics.Dawson(), numeric::interpolation::spline::TricubicSpline.dFdx(), numeric::interpolation::spline::TricubicSpline.dFdy(), numeric::interpolation::spline::TricubicSpline.dFdz(), dump_pdb_atom(), dump_points_pdb(), dump_points_pdb_contacts(), TCDock.dump_top_hits(), numeric::model_quality.erfcc(), numeric::statistics.errf(), numeric::statistics.errfc(), numeric::statistics.errfcx(), numeric::statistics.errfi(), basic::sampling::orientations::Quaternion.euler(), numeric::interpolation::spline::TricubicSpline.F(), numeric.FArray_to_vector_of_xyzvectors(), fastpow2(), numeric::geometry::hashing::xyzStripeHash.fill_pairs(), for(), AbsFunc.func(), get_axis_angle(), get_base_coordinate_system(), get_base_pair_coordinate_system(), CrystFFTDock.get_clash_score_exact(), Arch.get_disp_dofs(), ArchP6_32.get_disp_dofs(), ArchP4_42.get_disp_dofs(), get_element_coords(), get_hbond_rotation_samples(), MPInterfaceStatistics.get_inout_orientation(), get_models(), get_phosphate_stub(), get_point_groups(), get_zn_axes(), numeric::VoxelGrid< T >.GetNeighborsMultiDimensional(), grid_matcher(), zinc1_homodimer_design.gridsearch_rollmove_angles(), numeric::VoxelGrid< T >.HasNeighborsMultiDimensional(), ik_his4(), numeric::geometry::hashing::xyzStripeHash.init(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >.init(), initialize_for_grid_matcher(), InterfaceHit.InterfaceHit(), jacobi(), kono_sarai_stats(), kono_sarai_zscore(), numeric::xyzMatrix< T >.left_multiply_by(), numeric::xyzMatrix< T >.left_multiply_by_transpose(), length2f(), lengthf(), load_coordinates_from_database(), main(), make_coiled_coil(), VallReader.make_fragment_lines(), make_helix(), VallReader.make_nmer_profile(), map_morph(), mg_pdbstats_from_pose(), numeric::geometry::hashing::xyzStripeHash.nbcount(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >.nbcount(), numeric::geometry::hashing::xyzStripeHash.nbcount_raw(), basic::sampling::orientations::Quaternion.Normalize(), nucleobase_probe_score_test(), numeric::xyzMatrix< T >.operator*=(), pca_align_BROKEN(), KinFunGroupTK.place_c(), PoseWrap.PoseWrap(), basic::sampling::orientations::Quaternion.Print(), CrystFFTDock.project_along_axis(), numeric::linear_algebra.qzhes(), numeric::linear_algebra.qzit(), numeric::linear_algebra.qzval(), numeric::linear_algebra.qzvec(), randomly_shift_and_tilt_pose(), randomly_shift_and_tilt_poses(), read_embeddings(), read_jumpcut_file(), read_membrane(), read_parameters(), read_patchdock_entry(), read_penalties(), numeric.read_row(), read_sphere(), PickSSE.readSSE(), CrystFFTDock.resample_maps_and_get_self(), numeric::linear_algebra.rgg(), numeric::xyzMatrix< T >.right_multiply_by(), numeric::xyzMatrix< T >.right_multiply_by_transpose(), rna_stack_pdbstats_from_pose(), rotatePoint(), basic::sampling::orientations::Quaternion.rotation_matrix(), run(), TCDock.run(), run_pep_prep(), run_sf4h(), numeric::geometry::hashing::xyzStripeHash.sanity_check(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >.sanity_check(), numeric.serialize(), CrystFFTDock.setup_maps(), setup_symmetric_dimer(), numeric::VoxelGrid< T >.SetupGrid(), sphere_coverage(), SphereSampler.SphereSampler(), basic::svd::SVD_Solver.svdcmp(), numeric::linear_algebra.svdcmp(), InterfaceHit.to_string(), numeric::kinematic_closure.torsion(), numeric::kinematic_closure::radians.torsion(), CrystFFTDock.transform_map(), CrystFFTDock.transform_map_offset0(), numeric::UniformRotationSampler.UniformRotationSampler(), numeric.vector_of_xyzvectors_to_FArray(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >.visit(), numeric::geometry::hashing::xyzStripeHash.visit(), numeric::geometry::hashing::xyzStripeHash.visit_lax(), numeric::geometry::hashing::xyzStripeHashWithMeta< T >.visit_lax(), numeric::statistics.w(), and write_for_resnum().