Rosetta
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Classes | |
struct | HbondInfo |
basic::options::BooleanOptionKey const local::add_ligand_constraints("add_ligand_constraints") | ( | "add_ligand_constraints" | ) |
Referenced by main().
basic::options::BooleanOptionKey const local::allow_de("allow_de") | ( | "allow_de" | ) |
Referenced by zinc_stats::ZincStatisticGenerator::initialize_from_options(), and main().
basic::options::BooleanOptionKey const local::allow_his("allow_his") | ( | "allow_his" | ) |
Referenced by zinc_stats::ZincStatisticGenerator::initialize_from_options(), and main().
basic::options::StringOptionKey const local::allowed_elements("allowed_elements") | ( | "allowed_elements" | ) |
Referenced by MetalSiteFinderMover::initialize_from_options(), and main().
basic::options::BooleanOptionKey const local::append_nonlocal_residues("append_nonlocal_residues") | ( | "append_nonlocal_residues" | ) |
Referenced by MetalSiteFinderMover::apply(), and main().
basic::options::RealOptionKey const local::atom_sasa_cutoff("atom_sasa_cutoff") | ( | "atom_sasa_cutoff" | ) |
Referenced by BacksideHbondFinderMover::BacksideHbondFinderMover(), and main().
basic::options::BooleanOptionKey const local::AvNAPSA_negative("AvNAPSA_negative") | ( | "AvNAPSA_negative" | ) |
Referenced by main().
basic::options::BooleanOptionKey const local::AvNAPSA_positive("AvNAPSA_positive") | ( | "AvNAPSA_positive" | ) |
Referenced by main().
basic::options::BooleanOptionKey const local::bb_min("bb_min") | ( | "bb_min" | ) |
Referenced by ZincMinimize::apply(), and main().
basic::options::IntegerOptionKey const local::chain1("local::chain1") | ( | "local::chain1" | ) |
Referenced by numeric::kinematic_closure::radians::bridge_objects(), numeric::kinematic_closure::bridgeObjects(), dna_deriv_test(), dna_deriv_test_old(), interface_between_chains(), main(), region_for_string(), HDdesignMover::register_calculators(), register_metrics(), and numeric::kinematic_closure::test_rotateX().
basic::options::IntegerOptionKey const local::chain2("local::chain2") | ( | "local::chain2" | ) |
basic::options::BooleanOptionKey const local::compare_residue_energies_all("compare_residue_energies_all") | ( | "compare_residue_energies_all" | ) |
Referenced by main().
basic::options::BooleanOptionKey const local::compare_residue_energies_mut("compare_residue_energies_mut") | ( | "compare_residue_energies_mut" | ) |
Referenced by main().
basic::options::RealOptionKey const local::constraint_weight("constraint_weight") | ( | "constraint_weight" | ) |
basic::options::RealOptionKey const local::dihedral_cst_weight("dihedral_cst_weight") | ( | "dihedral_cst_weight" | ) |
Referenced by main().
basic::options::RealOptionKey const local::dist_cst_weight("dist_cst_weight") | ( | "dist_cst_weight" | ) |
Referenced by main().
basic::options::BooleanOptionKey const local::dont_mutate_correct_charge("dont_mutate_correct_charge") | ( | "dont_mutate_correct_charge" | ) |
Referenced by main().
basic::options::BooleanOptionKey const local::dont_mutate_glyprocys("dont_mutate_glyprocys") | ( | "dont_mutate_glyprocys" | ) |
Referenced by main().
basic::options::BooleanOptionKey const local::dont_mutate_hbonded_sidechains("dont_mutate_hbonded_sidechains") | ( | "dont_mutate_hbonded_sidechains" | ) |
Referenced by main().
basic::options::BooleanOptionKey const local::evaluate_coordinating_res_energies("evaluate_coordinating_res_energies") | ( | "evaluate_coordinating_res_energies" | ) |
Referenced by ZincSiteEvaluator::apply(), and main().
basic::options::BooleanOptionKey const local::evaluate_coordinating_res_types("evaluate_coordinating_res_types") | ( | "evaluate_coordinating_res_types" | ) |
Referenced by ZincSiteEvaluator::apply(), and main().
basic::options::BooleanOptionKey const local::evaluate_ligand_sasa("evaluate_ligand_sasa") | ( | "evaluate_ligand_sasa" | ) |
Referenced by ZincSiteEvaluator::apply(), and main().
basic::options::BooleanOptionKey const local::evaluate_mutations_native("evaluate_mutations_native") | ( | "evaluate_mutations_native" | ) |
Referenced by ZincSiteEvaluator::apply(), and main().
basic::options::FileOptionKey const local::evaluate_mutations_native_pdb("evaluate_mutations_native_pdb") | ( | "evaluate_mutations_native_pdb" | ) |
Referenced by ZincSiteEvaluator::apply(), and main().
basic::options::BooleanOptionKey const local::evaluate_zinc_geometry("evaluate_zinc_geometry") | ( | "evaluate_zinc_geometry" | ) |
Referenced by ZincSiteEvaluator::apply(), and main().
basic::options::BooleanOptionKey const local::evaluate_zinc_neighbors("evaluate_zinc_neighbors") | ( | "evaluate_zinc_neighbors" | ) |
Referenced by ZincSiteEvaluator::apply(), and main().
basic::options::BooleanOptionKey const local::evaluate_zinc_second_shell("evaluate_zinc_second_shell") | ( | "evaluate_zinc_second_shell" | ) |
Referenced by ZincSiteEvaluator::apply(), and main().
basic::options::IntegerOptionKey const local::first_ref_his("first_ref_his") | ( | "first_ref_his" | ) |
Referenced by main().
basic::options::BooleanOptionKey const local::helices_only("helices_only") | ( | "helices_only" | ) |
Referenced by MetalSiteFinderMover::apply(), and main().
basic::options::IntegerOptionKey const local::helix_length("helix_length") | ( | "helix_length" | ) |
Referenced by main().
basic::options::FileOptionKey const local::heme_conformation("heme_conformation") | ( | "heme_conformation" | ) |
Referenced by HemeReplace::HemeReplace(), and main().
basic::options::RealOptionKey const local::hsasa_residue_cutoff("hsasa_residue_cutoff") | ( | "hsasa_residue_cutoff" | ) |
Referenced by main().
basic::options::BooleanOptionKey const local::include_arg("include_arg") | ( | "include_arg" | ) |
Referenced by main().
basic::options::BooleanOptionKey const local::include_asp("include_asp") | ( | "include_asp" | ) |
Referenced by main().
basic::options::BooleanOptionKey const local::include_glu("include_glu") | ( | "include_glu" | ) |
Referenced by main().
basic::options::BooleanOptionKey const local::include_lys("include_lys") | ( | "include_lys" | ) |
Referenced by main().
basic::options::StringOptionKey const local::ligand_3_letter_code("ligand_3_letter_code") | ( | "ligand_3_letter_code" | ) |
Referenced by ZincSiteEvaluator::evaluate_ligand_sasa(), ZincSiteEvaluator::evaluate_zinc_neighbors(), and main().
basic::options::StringVectorOptionKey const local::ligand_cst_atoms("ligand_cst_atoms") | ( | "ligand_cst_atoms" | ) |
Referenced by main().
basic::options::StringOptionKey const local::master("local::master") | ( | "local::master" | ) |
Referenced by main().
basic::options::FileOptionKey const local::match_pdb("match_pdb") | ( | "match_pdb" | ) |
Referenced by main().
basic::options::RealOptionKey const local::max_angle("max_angle") | ( | "max_angle" | ) |
basic::options::IntegerOptionKey const local::max_loop_size("max_loop_size") | ( | "max_loop_size" | ) |
Referenced by MetalSiteFinderMover::initialize_from_options(), and main().
basic::options::IntegerOptionKey const local::max_res_span("max_res_span") | ( | "max_res_span" | ) |
Referenced by MetalSiteFinderMover::initialize_from_options(), and main().
basic::options::RealOptionKey const local::mc_temperature("mc_temperature") | ( | "mc_temperature" | ) |
Referenced by MyProtocol::apply(), HemeBindingMover::initialize_from_options(), and main().
basic::options::RealOptionKey const local::metal_ligand_distance_cutoff("metal_ligand_distance_cutoff") | ( | "metal_ligand_distance_cutoff" | ) |
Referenced by MetalSiteFinderMover::initialize_from_options(), and main().
basic::options::StringOptionKey const local::metal_type("metal_type") | ( | "metal_type" | ) |
Referenced by MetalSiteFinderMover::apply(), and main().
basic::options::IntegerOptionKey const local::min_coord_res("min_coord_res") | ( | "min_coord_res" | ) |
Referenced by MetalSiteFinderMover::initialize_from_options(), and main().
basic::options::IntegerOptionKey const local::min_local_coord_atoms("min_local_coord_atoms") | ( | "min_local_coord_atoms" | ) |
Referenced by MetalSiteFinderMover::initialize_from_options(), and main().
basic::options::IntegerOptionKey const local::min_total_coord_atoms("min_total_coord_atoms") | ( | "min_total_coord_atoms" | ) |
Referenced by MetalSiteFinderMover::initialize_from_options(), and main().
basic::options::IntegerOptionKey const local::n_ligands("n_ligands") | ( | "n_ligands" | ) |
Referenced by ZincSiteEvaluator::find_zinc_site(), and main().
basic::options::IntegerOptionKey const local::n_moves("n_moves") | ( | "n_moves" | ) |
Referenced by main().
basic::options::IntegerOptionKey const local::nbr_residue("local::nbr_residue") | ( | "local::nbr_residue" | ) |
Referenced by main().
basic::options::RealOptionKey const local::neighbor_distance_cutoff("neighbor_distance_cutoff") | ( | "neighbor_distance_cutoff" | ) |
Referenced by BacksideHbondFinderMover::BacksideHbondFinderMover(), and main().
basic::options::BooleanOptionKey const local::no_relax("no_relax") | ( | "no_relax" | ) |
Referenced by HemeReplace::apply(), and main().
basic::options::IntegerOptionKey const local::nstruct("nstruct") | ( | "nstruct" | ) |
Referenced by capri_t033_centroid_trim_dock_test(), capri_t033_loop_test(), capri_t033_trim_dock_test(), cst_relax_test(), diversify_sam_loop_test(), dna_stats(), protocols::abinitio::JumpSpecificAbrelax::do_distributed_rerun(), do_erraser2(), dock(), doit(), doit_refine(), erraser2_test(), fill_input_poses_based_on_possible_checkpoints(), InterfaceDDGBindJobInputter::fill_jobs(), first_preminimized_namer(), protocols::abinitio::JumpSpecificAbrelax::fold(), ligand_dock_main_jd1(), luxr_test(), main(), my_main(), not1_loop_test(), obtain_start_pose(), report_and_dump(), resample_full_model(), rna_build_helix_test(), rna_build_helix_test_OLD(), rna_design_gap_test(), rna_design_test(), rna_protein_rb_test(), round_minimized_namer(), round_resampled_namer(), FragmentAssemblyMover::run(), run_parallel_docking(), sample_rna_dofs_new(), second_preminimized_namer(), small_min_test(), myspace::test_bbgauss(), myspace::test_loophash(), myspace::test_MD(), myspace::test_recombine(), myspace::test_relax(), third_preminimized_namer(), trim_dock_rebuild_relax_test(), trim_dock_rebuild_relax_test_rhiju(), use_backrub(), and zf_relax_test().
basic::options::IntegerOptionKey const local::num_iterations("num_iterations") | ( | "num_iterations" | ) |
Referenced by HemeBindingMover::initialize_from_options(), and main().
basic::options::IntegerOptionKey const local::num_trials("num_trials") | ( | "num_trials" | ) |
basic::options::StringOptionKey const local::output_name("output_name") | ( | "output_name" | ) |
Referenced by zinc_stats::ZincStatisticGenerator::initialize_from_options(), and main().
basic::options::FileOptionKey const local::partner1("partner1") | ( | "partner1" | ) |
Referenced by main().
basic::options::FileOptionKey const local::partner2("partner2") | ( | "partner2" | ) |
Referenced by main().
basic::options::IntegerOptionKey const local::partner2_residue("partner2_residue") | ( | "partner2_residue" | ) |
Referenced by main().
basic::options::BooleanOptionKey const local::pre_packminpack("pre_packminpack") | ( | "pre_packminpack" | ) |
Referenced by main().
basic::options::RealOptionKey const local::prob_br_move("prob_br_move") | ( | "prob_br_move" | ) |
Referenced by HemeBindingMover::initialize_from_options(), and main().
basic::options::IntegerOptionKey const local::ref_zinc("ref_zinc") | ( | "ref_zinc" | ) |
Referenced by main().
basic::options::StringOptionKey const local::reference_zinc_site("reference_zinc_site") | ( | "reference_zinc_site" | ) |
Referenced by main().
basic::options::RealOptionKey const local::refweight_arg("refweight_arg") | ( | "refweight_arg" | ) |
Referenced by main().
basic::options::RealOptionKey const local::refweight_asp("refweight_asp") | ( | "refweight_asp" | ) |
Referenced by main().
basic::options::RealOptionKey const local::refweight_glu("refweight_glu") | ( | "refweight_glu" | ) |
Referenced by main().
basic::options::RealOptionKey const local::refweight_lys("refweight_lys") | ( | "refweight_lys" | ) |
Referenced by main().
basic::options::RealOptionKey const local::repacking_distance("repacking_distance") | ( | "repacking_distance" | ) |
Referenced by main(), and HemeReplace::setup_task_factory().
basic::options::BooleanOptionKey const local::require_bordering_ss("require_bordering_ss") | ( | "require_bordering_ss" | ) |
Referenced by MetalSiteFinderMover::apply(), and main().
basic::options::RealOptionKey const local::sampling_increment("sampling_increment") | ( | "sampling_increment" | ) |
Referenced by zinc_stats::ZincStatisticGenerator::initialize_from_options(), and main().
basic::options::RealOptionKey const local::sampling_range("sampling_range") | ( | "sampling_range" | ) |
basic::options::StringOptionKey const local::secstruct("secstruct") | ( | "secstruct" | ) |
Referenced by zinc_stats::ZincStatisticGenerator::initialize_from_options(), and main().
basic::options::IntegerOptionKey const local::shear_moves("shear_moves") | ( | "shear_moves" | ) |
Referenced by main().
basic::options::BooleanOptionKey const local::skip_sitegraft_repack("skip_sitegraft_repack") | ( | "skip_sitegraft_repack" | ) |
Referenced by main().
basic::options::IntegerOptionKey const local::small_moves("small_moves") | ( | "small_moves" | ) |
Referenced by main().
basic::options::BooleanOptionKey const local::strict_ss_changes("strict_ss_changes") | ( | "strict_ss_changes" | ) |
Referenced by MetalSiteFinderMover::initialize_from_options(), and main().
basic::options::IntegerOptionKey const local::surface_atom_cutoff("surface_atom_cutoff") | ( | "surface_atom_cutoff" | ) |
Referenced by main().
basic::options::IntegerOptionKey const local::surface_residue("surface_residue") | ( | "surface_residue" | ) |
Referenced by main().
basic::options::IntegerOptionKey const local::surface_residue_cutoff("surface_residue_cutoff") | ( | "surface_residue_cutoff" | ) |
Referenced by main().
basic::options::IntegerOptionKey const local::target_net_charge("target_net_charge") | ( | "target_net_charge" | ) |
Referenced by main().
basic::options::BooleanOptionKey const local::target_net_charge_active("target_net_charge_active") | ( | "target_net_charge_active" | ) |
Referenced by main().
basic::options::RealOptionKey const local::temperature("temperature") | ( | "temperature" | ) |
Referenced by SmoothFragRepackMover::apply(), numeric::boltzmann_accept_probability(), coarse_rna_denovo_test(), create_ensemble(), ChallengeMover::do_rigid_body_moves(), doit(), erraser_monte_carlo(), main(), register_options(), rna_design_gap_test(), core::pack::annealer::FixbbSimAnnealer::run(), run_mc(), SamplingManager::SamplingManager(), search_translations(), set_temp_based_on_ens_diversity(), sidechain_sample(), and NativeEnsemble::write_schema_to_db().
basic::options::BooleanOptionKey const local::use_pdb_numbering("use_pdb_numbering") | ( | "use_pdb_numbering" | ) |
Referenced by main().
basic::options::IntegerOptionKey const local::window_width("window_width") | ( | "window_width" | ) |
Referenced by main().
basic::options::IntegerOptionKey const local::zinc_resnum("zinc_resnum") | ( | "zinc_resnum" | ) |
Referenced by ZincSiteEvaluator::find_zinc_site(), and main().
basic::options::RealOptionKey const local::zn_constraint_weight("zn_constraint_weight") | ( | "zn_constraint_weight" | ) |
Referenced by main(), and ZincMinimize::set_scorefunction().
basic::options::BooleanOptionKey const local::zn_min_pack("zn_min_pack") | ( | "zn_min_pack" | ) |
Referenced by ZincMinimize::apply(), and main().
basic::options::IntegerOptionKey const local::zn_min_pack_cycles("zn_min_pack_cycles") | ( | "zn_min_pack_cycles" | ) |
Referenced by main(), and ZincMinimize::zn_min_pack().
basic::options::BooleanOptionKey const local::zn_minimize("zn_minimize") | ( | "zn_minimize" | ) |
Referenced by ZincMinimize::apply(), and main().