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Rosetta Utilities
2014.35
|
Functions | |
BooleanOptionKey const | in::in ("in") |
StringOptionKey const | in::Ntermini ("in:Ntermini") |
StringOptionKey const | in::Ctermini ("in:Ctermini") |
BooleanOptionKey const | in::use_truncated_termini ("in:use_truncated_termini") |
BooleanOptionKey const | in::ignore_unrecognized_res ("in:ignore_unrecognized_res") |
BooleanOptionKey const | in::ignore_waters ("in:ignore_waters") |
BooleanOptionKey const | in::add_orbitals ("in:add_orbitals") |
BooleanOptionKey const | in::show_all_fixes ("in:show_all_fixes") |
BooleanOptionKey const | in::include_sugars ("in:include_sugars") |
BooleanOptionKey const | in::include_lipids ("in:include_lipids") |
BooleanOptionKey const | in::include_surfaces ("in:include_surfaces") |
BooleanOptionKey const | in::membrane ("in:membrane") |
BooleanOptionKey const | in::remember_unrecognized_res ("in:remember_unrecognized_res") |
BooleanOptionKey const | in::remember_unrecognized_water ("in:remember_unrecognized_water") |
BooleanOptionKey const | in::preserve_crystinfo ("in:preserve_crystinfo") |
BooleanOptionKey const | in::detect_oops ("in:detect_oops") |
BooleanOptionKey const | in::detect_disulf ("in:detect_disulf") |
RealOptionKey const | in::detect_disulf_tolerance ("in:detect_disulf_tolerance") |
BooleanOptionKey const | in::auto_setup_metals ("in:auto_setup_metals") |
RealOptionKey const | in::metals_detection_LJ_multiplier ("in:metals_detection_LJ_multiplier") |
RealOptionKey const | in::metals_distance_constraint_multiplier ("in:metals_distance_constraint_multiplier") |
RealOptionKey const | in::metals_angle_constraint_multiplier ("in:metals_angle_constraint_multiplier") |
FileOptionKey const | in::fix_disulf ("in:fix_disulf") |
BooleanOptionKey const | in::missing_density_to_jump ("in:missing_density_to_jump") |
IntegerVectorOptionKey const | in::target_residues ("in:target_residues") |
IntegerVectorOptionKey const | in::replonly_residues ("in:replonly_residues") |
BooleanOptionKey const | in::replonly_loops ("in:replonly_loops") |
BooleanOptionKey const | in::use_database ("in:use_database") |
StringVectorOptionKey const | in::select_structures_from_database ("in:select_structures_from_database") |
BooleanOptionKey const | in::dbms::dbms ("in:dbms") |
StringVectorOptionKey const | in::dbms::struct_ids ("in:dbms:struct_ids") |
PathVectorOptionKey const | in::path::path ("in:path") |
PathVectorOptionKey const | in::path::fragments ("in:path:fragments") |
PathVectorOptionKey const | in::path::pdb ("in:path:pdb") |
PathVectorOptionKey const | in::path::database ("in:path:database") |
BooleanOptionKey const | in::file::file ("in:file") |
FileVectorOptionKey const | in::file::s ("in:file:s") |
FileVectorOptionKey const | in::file::t ("in:file:t") |
FileVectorOptionKey const | in::file::l ("in:file:l") |
FileVectorOptionKey const | in::file::list ("in:file:list") |
FileVectorOptionKey const | in::file::screening_list ("in:file:screening_list") |
FileOptionKey const | in::file::screening_job_file ("in:file:screening_job_file") |
BooleanOptionKey const | in::file::shuffle_screening_jobs ("in:file:shuffle_screening_jobs") |
FileOptionKey const | in::file::native ("in:file:native") |
FileOptionKey const | in::file::torsion_bin_probs ("in:file:torsion_bin_probs") |
FileOptionKey const | in::file::PCS_frag_cst ("in:file:PCS_frag_cst") |
FileOptionKey const | in::file::talos_phi_psi ("in:file:talos_phi_psi") |
FileOptionKey const | in::file::talos_cs ("in:file:talos_cs") |
FileOptionKey const | in::file::ambig_talos_cs_A ("in:file:ambig_talos_cs_A") |
FileOptionKey const | in::file::ambig_talos_cs_B ("in:file:ambig_talos_cs_B") |
IntegerVectorOptionKey const | in::file::native_exclude_res ("in:file:native_exclude_res") |
StringVectorOptionKey const | in::file::tags ("in:file:tags") |
StringVectorOptionKey const | in::file::user_tags ("in:file:user_tags") |
FileOptionKey const | in::file::tagfile ("in:file:tagfile") |
FileVectorOptionKey const | in::file::frag_files ("in:file:frag_files") |
StringVectorOptionKey const | in::file::remap_pdb_atom_names_for ("in:file:remap_pdb_atom_names_for") |
FileVectorOptionKey const | in::file::extra_res ("in:file:extra_res") |
FileVectorOptionKey const | in::file::extra_res_fa ("in:file:extra_res_fa") |
FileVectorOptionKey const | in::file::extra_res_mol ("in:file:extra_res_mol") |
StringOptionKey const | in::file::extra_res_database ("in:file:extra_res_database") |
StringOptionKey const | in::file::extra_res_pq_schema ("in:file:extra_res_pq_schema") |
StringOptionKey const | in::file::extra_res_database_mode ("in:file:extra_res_database_mode") |
FileOptionKey const | in::file::extra_res_database_resname_list ("in:file:extra_res_database_resname_list") |
FileVectorOptionKey const | in::file::extra_res_cen ("in:file:extra_res_cen") |
PathVectorOptionKey const | in::file::extra_res_path ("in:file:extra_res_path") |
PathVectorOptionKey const | in::file::extra_rot_lib_path ("in:file:extra_rot_lib_path") |
PathVectorOptionKey const | in::file::extra_res_batch_path ("in:file:extra_res_batch_path") |
FileVectorOptionKey const | in::file::extra_patch_fa ("in:file:extra_patch_fa") |
FileVectorOptionKey const | in::file::extra_patch_cen ("in:file:extra_patch_cen") |
StringOptionKey const | in::file::frag3 ("in:file:frag3") |
StringOptionKey const | in::file::frag9 ("in:file:frag9") |
StringOptionKey const | in::file::fragA ("in:file:fragA") |
StringOptionKey const | in::file::fragB ("in:file:fragB") |
StringOptionKey const | in::file::surface_vectors ("in:file:surface_vectors") |
StringOptionKey const | in::file::xyz ("in:file:xyz") |
BooleanOptionKey const | in::file::keep_input_scores ("in:file:keep_input_scores") |
BooleanOptionKey const | in::file::lazy_silent ("in:file:lazy_silent") |
FileVectorOptionKey const | in::file::silent ("in:file:silent") |
BooleanOptionKey const | in::file::force_silent_bitflip_on_read ("in:file:force_silent_bitflip_on_read") |
FileVectorOptionKey const | in::file::atom_tree_diff ("in:file:atom_tree_diff") |
StringOptionKey const | in::file::zip ("in:file:zip") |
FileVectorOptionKey const | in::file::boinc_wu_zip ("in:file:boinc_wu_zip") |
BooleanOptionKey const | in::file::fullatom ("in:file:fullatom") |
BooleanOptionKey const | in::file::centroid_input ("in:file:centroid_input") |
BooleanOptionKey const | in::file::centroid ("in:file:centroid") |
StringOptionKey const | in::file::treat_residues_in_these_chains_as_separate_chemical_entities ("in:file:treat_residues_in_these_chains_as_separate_chemical_entities") |
StringOptionKey const | in::file::residue_type_set ("in:file:residue_type_set") |
FileOptionKey const | in::file::pca ("in:file:pca") |
RealOptionKey const | in::file::silent_energy_cut ("in:file:silent_energy_cut") |
FileVectorOptionKey const | in::file::silent_list ("in:file:silent_list") |
BooleanOptionKey const | in::file::silent_renumber ("in:file:silent_renumber") |
StringOptionKey const | in::file::silent_struct_type ("in:file:silent_struct_type") |
BooleanOptionKey const | in::file::silent_read_through_errors ("in:file:silent_read_through_errors") |
StringOptionKey const | in::file::silent_score_prefix ("in:file:silent_score_prefix") |
IntegerOptionKey const | in::file::silent_select_random ("in:file:silent_select_random") |
IntegerOptionKey const | in::file::silent_select_range_start ("in:file:silent_select_range_start") |
IntegerOptionKey const | in::file::silent_select_range_mul ("in:file:silent_select_range_mul") |
IntegerOptionKey const | in::file::silent_select_range_len ("in:file:silent_select_range_len") |
BooleanOptionKey const | in::file::skip_failed_simulations ("in:file:skip_failed_simulations") |
StringVectorOptionKey const | in::file::silent_scores_wanted ("in:file:silent_scores_wanted") |
FileVectorOptionKey const | in::file::fasta ("in:file:fasta") |
FileVectorOptionKey const | in::file::pssm ("in:file:pssm") |
StringVectorOptionKey const | in::file::seq ("in:file:seq") |
FileOptionKey const | in::file::checkpoint ("in:file:checkpoint") |
FileOptionKey const | in::file::binary_chk ("in:file:binary_chk") |
FileVectorOptionKey const | in::file::alignment ("in:file:alignment") |
FileVectorOptionKey const | in::file::alignment2 ("in:file:alignment2") |
FileOptionKey const | in::file::rama2b_map ("in:file:rama2b_map") |
FileOptionKey const | in::file::psipred_ss2 ("in:file:psipred_ss2") |
FileOptionKey const | in::file::dssp ("in:file:dssp") |
BooleanOptionKey const | in::file::fail_on_bad_hbond ("in:file:fail_on_bad_hbond") |
FileOptionKey const | in::file::movemap ("in:file:movemap") |
BooleanOptionKey const | in::file::repair_sidechains ("in:file:repair_sidechains") |
BooleanOptionKey const | in::file::no_binary_dunlib ("in:file:no_binary_dunlib") |
IntegerOptionKey const | in::file::extended_pose ("in:file:extended_pose") |
FileVectorOptionKey const | in::file::template_pdb ("in:file:template_pdb") |
FileOptionKey const | in::file::template_silent ("in:file:template_silent") |
FileVectorOptionKey const | in::file::rdc ("in:file:rdc") |
FileVectorOptionKey const | in::file::csa ("in:file:csa") |
FileVectorOptionKey const | in::file::dc ("in:file:dc") |
FileVectorOptionKey const | in::file::burial ("in:file:burial") |
FileVectorOptionKey const | in::file::vall ("in:file:vall") |
BooleanOptionKey const | in::file::rescore ("in:file:rescore") |
StringOptionKey const | in::file::spanfile ("in:file:spanfile") |
StringOptionKey const | in::file::lipofile ("in:file:lipofile") |
StringOptionKey const | in::file::HDX ("in:file:HDX") |
RealOptionKey const | in::file::d2h_sa_reweight ("in:file:d2h_sa_reweight") |
FileOptionKey const | in::file::sucker_params ("in:file:sucker_params") |
FileOptionKey const | in::file::fold_tree ("in:file:fold_tree") |
BooleanOptionKey const | in::file::obey_ENDMDL ("in:file:obey_ENDMDL") |
BooleanOptionKey const | in::file::new_chain_order ("in:file:new_chain_order") |
FileOptionKey const | in::file::ddg_predictions_file ("in:file:ddg_predictions_file") |
ResidueChainVectorOptionKey const | in::file::input_res ("in:file:input_res") |
IntegerVectorOptionKey const | in::file::minimize_res ("in:file:minimize_res") |
StringOptionKey const | in::file::md_schfile ("in:file:md_schfile") |
BooleanOptionKey const | in::file::read_pdb_link_records ("in:file:read_pdb_link_records") |
FileOptionKey const | in::file::native_contacts ("in:file:native_contacts") |
BooleanOptionKey const | in::rdf::rdf ("in:rdf") |
BooleanOptionKey const | in::rdf::sep_bb_ss ("in:rdf:sep_bb_ss") |
BooleanOptionKey const | inout::inout ("inout") |
BooleanOptionKey const | inout::fold_tree_io ("inout:fold_tree_io") |
BooleanOptionKey const | inout::dump_connect_info ("inout:dump_connect_info") |
RealOptionKey const | inout::connect_info_cutoff ("inout:connect_info_cutoff") |
BooleanOptionKey const | inout::dbms::dbms ("inout:dbms") |
StringOptionKey const | inout::dbms::mode ("inout:dbms:mode") |
StringOptionKey const | inout::dbms::database_name ("inout:dbms:database_name") |
StringOptionKey const | inout::dbms::pq_schema ("inout:dbms:pq_schema") |
StringOptionKey const | inout::dbms::host ("inout:dbms:host") |
StringOptionKey const | inout::dbms::user ("inout:dbms:user") |
StringOptionKey const | inout::dbms::password ("inout:dbms:password") |
IntegerOptionKey const | inout::dbms::port ("inout:dbms:port") |
BooleanOptionKey const | inout::dbms::readonly ("inout:dbms:readonly") |
BooleanOptionKey const | inout::dbms::separate_db_per_mpi_process ("inout:dbms:separate_db_per_mpi_process") |
IntegerOptionKey const | inout::dbms::database_partition ("inout:dbms:database_partition") |
BooleanOptionKey const | inout::dbms::use_compact_residue_schema ("inout:dbms:use_compact_residue_schema") |
BooleanOptionKey const | inout::dbms::retry_failed_reads ("inout:dbms:retry_failed_reads") |
BooleanOptionKey const | out::out ("out") |
BooleanOptionKey const | out::overwrite ("out:overwrite") |
IntegerOptionKey const | out::nstruct ("out:nstruct") |
IntegerOptionKey const | out::shuffle_nstruct ("out:shuffle_nstruct") |
StringOptionKey const | out::prefix ("out:prefix") |
StringOptionKey const | out::suffix ("out:suffix") |
BooleanOptionKey const | out::no_nstruct_label ("out:no_nstruct_label") |
BooleanOptionKey const | out::pdb_gz ("out:pdb_gz") |
BooleanOptionKey const | out::pdb ("out:pdb") |
BooleanOptionKey const | out::silent_gz ("out:silent_gz") |
BooleanOptionKey const | out::membrane_pdb ("out:membrane_pdb") |
RealOptionKey const | out::membrane_pdb_thickness ("out:membrane_pdb_thickness") |
BooleanOptionKey const | out::use_database ("out:use_database") |
IntegerOptionKey const | out::database_protocol_id ("out:database_protocol_id") |
StringVectorOptionKey const | out::database_filter ("out:database_filter") |
IntegerVectorOptionKey const | out::resume_batch ("out:resume_batch") |
BooleanOptionKey const | out::nooutput ("out:nooutput") |
BooleanOptionKey const | out::output ("out:output") |
RealOptionKey const | out::scorecut ("out:scorecut") |
BooleanOptionKey const | out::show_accessed_options ("out:show_accessed_options") |
BooleanOptionKey const | out::show_unused_options ("out:show_unused_options") |
FileOptionKey const | out::sf ("out:sf") |
StringVectorOptionKey const | out::mute ("out:mute") |
StringVectorOptionKey const | out::unmute ("out:unmute") |
IntegerOptionKey const | out::level ("out:level") |
StringVectorOptionKey const | out::levels ("out:levels") |
IntegerOptionKey const | out::std_IO_exit_error_code ("out:std_IO_exit_error_code") |
BooleanOptionKey const | out::chname ("out:chname") |
BooleanOptionKey const | out::chtimestamp ("out:chtimestamp") |
BooleanOptionKey const | out::dry_run ("out:dry_run") |
StringOptionKey const | out::mpi_tracer_to_file ("out:mpi_tracer_to_file") |
StringOptionKey const | out::user_tag ("out:user_tag") |
StringOptionKey const | out::output_tag ("out:output_tag") |
BooleanOptionKey const | out::file::file ("out:file") |
StringOptionKey const | out::file::o ("out:file:o") |
FileOptionKey const | out::file::design_contrast ("out:file:design_contrast") |
StringOptionKey const | out::file::residue_type_set ("out:file:residue_type_set") |
StringOptionKey const | out::file::atom_tree_diff ("out:file:atom_tree_diff") |
IntegerOptionKey const | out::file::atom_tree_diff_bb ("out:file:atom_tree_diff_bb") |
IntegerOptionKey const | out::file::atom_tree_diff_sc ("out:file:atom_tree_diff_sc") |
IntegerOptionKey const | out::file::atom_tree_diff_bl ("out:file:atom_tree_diff_bl") |
StringOptionKey const | out::file::alignment ("out:file:alignment") |
StringOptionKey const | out::file::score_only ("out:file:score_only") |
StringOptionKey const | out::file::scorefile ("out:file:scorefile") |
StringOptionKey const | out::file::scorefile_format ("out:file:scorefile_format") |
StringOptionKey const | out::file::silent ("out:file:silent") |
StringOptionKey const | out::file::silent_struct_type ("out:file:silent_struct_type") |
BooleanOptionKey const | out::file::silent_print_all_score_headers ("out:file:silent_print_all_score_headers") |
BooleanOptionKey const | out::file::raw ("out:file:raw") |
BooleanOptionKey const | out::file::weight_silent_scores ("out:file:weight_silent_scores") |
BooleanOptionKey const | out::file::silent_preserve_H ("out:file:silent_preserve_H") |
BooleanOptionKey const | out::file::fullatom ("out:file:fullatom") |
BooleanOptionKey const | out::file::suppress_zero_occ_pdb_output ("out:file:suppress_zero_occ_pdb_output") |
BooleanOptionKey const | out::file::output_virtual ("out:file:output_virtual") |
BooleanOptionKey const | out::file::no_output_cen ("out:file:no_output_cen") |
BooleanOptionKey const | out::file::output_orbitals ("out:file:output_orbitals") |
BooleanOptionKey const | out::file::renumber_pdb ("out:file:renumber_pdb") |
BooleanOptionKey const | out::file::pdb_parents ("out:file:pdb_parents") |
BooleanOptionKey const | out::file::per_chain_renumbering ("out:file:per_chain_renumbering") |
BooleanOptionKey const | out::file::output_torsions ("out:file:output_torsions") |
BooleanOptionKey const | out::file::use_occurrence_data ("out:file:use_occurrence_data") |
BooleanOptionKey const | out::file::pdb_comments ("out:file:pdb_comments") |
BooleanOptionKey const | out::file::force_nonideal_structure ("out:file:force_nonideal_structure") |
BooleanOptionKey const | out::file::write_pdb_link_records ("out:file:write_pdb_link_records") |
BooleanOptionKey const | out::file::dont_rewrite_dunbrack_database ("out:file:dont_rewrite_dunbrack_database") |
StringOptionKey const | out::file::frag_prefix ("out:file:frag_prefix") |
BooleanOptionKey const | out::file::no_extra_sdf_data ("out:file:no_extra_sdf_data") |
PathOptionKey const | out::path::all ("out:path:all") |
PathOptionKey const | out::path::path ("out:path") |
PathOptionKey const | out::path::pdb ("out:path:pdb") |
PathOptionKey const | out::path::score ("out:path:score") |
PathOptionKey const | out::path::scratch ("out:path:scratch") |
BooleanOptionKey const | out::path::mpi_rank_dir ("out:path:mpi_rank_dir") |
BooleanOptionKey const | run::run ("run") |
FileVectorOptionKey const | run::batches ("run:batches") |
BooleanOptionKey const | run::no_prof_info_in_silentout ("run:no_prof_info_in_silentout") |
BooleanOptionKey const | run::archive ("run:archive") |
IntegerOptionKey const | run::n_replica ("run:n_replica") |
BooleanOptionKey const | run::shuffle ("run:shuffle") |
IntegerOptionKey const | run::n_cycles ("run:n_cycles") |
IntegerOptionKey const | run::repeat ("run:repeat") |
IntegerOptionKey const | run::max_min_iter ("run:max_min_iter") |
IntegerOptionKey const | run::maxruntime ("run:maxruntime") |
BooleanOptionKey const | run::write_failures ("run:write_failures") |
BooleanOptionKey const | run::benchmark ("run:benchmark") |
BooleanOptionKey const | run::test_cycles ("run:test_cycles") |
BooleanOptionKey const | run::memory_test_cycles ("run:memory_test_cycles") |
BooleanOptionKey const | run::dry_run ("run:dry_run") |
BooleanOptionKey const | run::debug ("run:debug") |
BooleanOptionKey const | run::profile ("run:profile") |
IntegerOptionKey const | run::max_retry_job ("run:max_retry_job") |
BooleanOptionKey const | run::version ("run:version") |
BooleanOptionKey const | run::nodelay ("run:nodelay") |
IntegerOptionKey const | run::delay ("run:delay") |
IntegerOptionKey const | run::random_delay ("run:random_delay") |
BooleanOptionKey const | run::timer ("run:timer") |
StringOptionKey const | run::chain ("run:chain") |
BooleanOptionKey const | run::score_only ("run:score_only") |
BooleanOptionKey const | run::decoystats ("run:decoystats") |
BooleanOptionKey const | run::output_hbond_info ("run:output_hbond_info") |
RealOptionKey const | run::wide_nblist_extension ("run:wide_nblist_extension") |
BooleanOptionKey const | run::constant_seed ("run:constant_seed") |
IntegerOptionKey const | run::jran ("run:jran") |
BooleanOptionKey const | run::use_time_as_seed ("run:use_time_as_seed") |
StringOptionKey const | run::rng_seed_device ("run:rng_seed_device") |
IntegerOptionKey const | run::seed_offset ("run:seed_offset") |
StringOptionKey const | run::rng ("run:rng") |
BooleanOptionKey const | run::rebuild_disulf ("run:rebuild_disulf") |
BooleanOptionKey const | run::preserve_header ("run:preserve_header") |
BooleanOptionKey const | run::suppress_checkpoints ("run:suppress_checkpoints") |
BooleanOptionKey const | run::checkpoint ("run:checkpoint") |
BooleanOptionKey const | run::delete_checkpoints ("run:delete_checkpoints") |
IntegerOptionKey const | run::checkpoint_interval ("run:checkpoint_interval") |
StringOptionKey const | run::protocol ("run:protocol") |
BooleanOptionKey const | run::remove_ss_length_screen ("run:remove_ss_length_screen") |
StringOptionKey const | run::min_type ("run:min_type") |
RealOptionKey const | run::min_tolerance ("run:min_tolerance") |
BooleanOptionKey const | run::nblist_autoupdate ("run:nblist_autoupdate") |
RealOptionKey const | run::nblist_autoupdate_narrow ("run:nblist_autoupdate_narrow") |
RealOptionKey const | run::nblist_autoupdate_wide ("run:nblist_autoupdate_wide") |
BooleanOptionKey const | run::skip_set_reasonable_fold_tree ("run:skip_set_reasonable_fold_tree") |
BooleanOptionKey const | run::randomize_missing_coords ("run:randomize_missing_coords") |
BooleanOptionKey const | run::ignore_zero_occupancy ("run:ignore_zero_occupancy") |
IntegerOptionKey const | run::cycles_outer ("run:cycles_outer") |
IntegerOptionKey const | run::cycles_inner ("run:cycles_inner") |
IntegerOptionKey const | run::repack_rate ("run:repack_rate") |
BooleanOptionKey const | run::reinitialize_mover_for_each_job ("run:reinitialize_mover_for_each_job") |
BooleanOptionKey const | run::reinitialize_mover_for_new_input ("run:reinitialize_mover_for_new_input") |
BooleanOptionKey const | run::multiple_processes_writing_to_one_directory ("run:multiple_processes_writing_to_one_directory") |
StringOptionKey const | run::jobdist_miscfile_ext ("run:jobdist_miscfile_ext") |
BooleanOptionKey const | run::no_scorefile ("run:no_scorefile") |
BooleanOptionKey const | run::other_pose_to_scorefile ("run:other_pose_to_scorefile") |
FileOptionKey const | run::other_pose_scorefile ("run:other_pose_scorefile") |
BooleanOptionKey const | run::intermediate_scorefiles ("run:intermediate_scorefiles") |
BooleanOptionKey const | run::intermediate_structures ("run:intermediate_structures") |
BooleanOptionKey const | run::idealize_before_protocol ("run:idealize_before_protocol") |
BooleanOptionKey const | run::interactive ("run:interactive") |
BooleanOptionKey const | run::condor ("run:condor") |
IntegerOptionKey const | run::nproc ("run:nproc") |
IntegerOptionKey const | run::proc_id ("run:proc_id") |
BooleanOptionKey const | run::exit_if_missing_heavy_atoms ("run:exit_if_missing_heavy_atoms") |
RealOptionKey const | run::show_simulation_in_pymol ("run:show_simulation_in_pymol") |
BooleanOptionKey const | run::update_pymol_on_energy_changes_only ("run:update_pymol_on_energy_changes_only") |
BooleanOptionKey const | run::update_pymol_on_conformation_changes_only ("run:update_pymol_on_conformation_changes_only") |
BooleanOptionKey const | run::keep_pymol_simulation_history ("run:keep_pymol_simulation_history") |
BooleanOptionKey const | jd2::jd2 ("jd2") |
BooleanOptionKey const | jd2::pose_input_stream ("jd2:pose_input_stream") |
BooleanOptionKey const | jd2::lazy_silent_file_reader ("jd2:lazy_silent_file_reader") |
BooleanOptionKey const | jd2::mpi_nowait_for_remaining_jobs ("jd2:mpi_nowait_for_remaining_jobs") |
RealOptionKey const | jd2::mpi_timeout_factor ("jd2:mpi_timeout_factor") |
BooleanOptionKey const | jd2::mpi_work_partition_job_distributor ("jd2:mpi_work_partition_job_distributor") |
BooleanOptionKey const | jd2::mpi_file_buf_job_distributor ("jd2:mpi_file_buf_job_distributor") |
BooleanOptionKey const | jd2::mpi_filebuf_jobdistributor ("jd2:mpi_filebuf_jobdistributor") |
BooleanOptionKey const | jd2::mpi_fast_nonblocking_output ("jd2:mpi_fast_nonblocking_output") |
BooleanOptionKey const | jd2::dd_parser ("jd2:dd_parser") |
IntegerOptionKey const | jd2::ntrials ("jd2:ntrials") |
StringOptionKey const | jd2::generic_job_name ("jd2:generic_job_name") |
BooleanOptionKey const | jd2::no_output ("jd2:no_output") |
BooleanOptionKey const | jd2::enzdes_out ("jd2:enzdes_out") |
IntegerOptionKey const | jd2::buffer_silent_output ("jd2:buffer_silent_output") |
RealOptionKey const | jd2::buffer_flush_frequency ("jd2:buffer_flush_frequency") |
BooleanOptionKey const | jd2::delete_old_poses ("jd2:delete_old_poses") |
FileVectorOptionKey const | jd2::resource_definition_files ("jd2:resource_definition_files") |
FileOptionKey const | jd2::checkpoint_file ("jd2:checkpoint_file") |
BooleanOptionKey const | score::score_pose_cutpoint_variants ("score:score_pose_cutpoint_variants") |
BooleanOptionKey const | score::score ("score") |
StringOptionKey const | score::weights ("score:weights") |
StringVectorOptionKey const | score::set_weights ("score:set_weights") |
StringOptionKey const | score::pack_weights ("score:pack_weights") |
StringOptionKey const | score::soft_wts ("score:soft_wts") |
BooleanOptionKey const | score::docking_interface_score ("score:docking_interface_score") |
RealOptionKey const | score::min_score_score ("score:min_score_score") |
StringOptionKey const | score::custom_atom_pair ("score:custom_atom_pair") |
FileVectorOptionKey const | score::patch ("score:patch") |
BooleanOptionKey const | score::empty ("score:empty") |
RealOptionKey const | score::fa_max_dis ("score:fa_max_dis") |
BooleanOptionKey const | score::fa_Hatr ("score:fa_Hatr") |
BooleanOptionKey const | score::no_smooth_etables ("score:no_smooth_etables") |
BooleanOptionKey const | score::no_lk_polar_desolvation ("score:no_lk_polar_desolvation") |
StringOptionKey const | score::input_etables ("score:input_etables") |
StringOptionKey const | score::output_etables ("score:output_etables") |
BooleanOptionKey const | score::analytic_etable_evaluation ("score:analytic_etable_evaluation") |
RealOptionKey const | score::rms_target ("score:rms_target") |
BooleanOptionKey const | score::ramaneighbors ("score:ramaneighbors") |
StringOptionKey const | score::optH_weights ("score:optH_weights") |
StringOptionKey const | score::optH_patch ("score:optH_patch") |
StringOptionKey const | score::hbond_params ("score:hbond_params") |
BooleanOptionKey const | score::hbond_bb_per_residue_energy ("score:hbond_bb_per_residue_energy") |
BooleanOptionKey const | score::hbond_disable_bbsc_exclusion_rule ("score:hbond_disable_bbsc_exclusion_rule") |
IntegerOptionKey const | score::symE_units ("score:symE_units") |
RealOptionKey const | score::symE_bonus ("score:symE_bonus") |
RealOptionKey const | score::NV_lbound ("score:NV_lbound") |
RealOptionKey const | score::NV_ubound ("score:NV_ubound") |
StringOptionKey const | score::NV_table ("score:NV_table") |
BooleanOptionKey const | score::disable_orientation_dependent_rna_ch_o_bonds ("score:disable_orientation_dependent_rna_ch_o_bonds") |
StringOptionKey const | score::rna_torsion_potential ("score:rna_torsion_potential") |
StringOptionKey const | score::rna_suite_potential ("score:rna_suite_potential") |
BooleanOptionKey const | score::rna_torsion_skip_chainbreak ("score:rna_torsion_skip_chainbreak") |
StringOptionKey const | score::rna_chemical_shift_exp_data ("score:rna_chemical_shift_exp_data") |
StringOptionKey const | score::rna_chemical_shift_H5_prime_mode ("score:rna_chemical_shift_H5_prime_mode") |
IntegerVectorOptionKey const | score::rna_chemical_shift_include_res ("score:rna_chemical_shift_include_res") |
BooleanOptionKey const | score::DMS_separate_features ("score:DMS_separate_features") |
BooleanOptionKey const | score::DMS_careful_base_pair_classifier ("score:DMS_careful_base_pair_classifier") |
RealOptionKey const | score::rna_chem_map_lores_weight ("score:rna_chem_map_lores_weight") |
BooleanOptionKey const | score::use_2prime_OH_potential ("score:use_2prime_OH_potential") |
BooleanOptionKey const | score::include_neighbor_base_stacks ("score:include_neighbor_base_stacks") |
BooleanOptionKey const | score::find_neighbors_3dgrid ("score:find_neighbors_3dgrid") |
BooleanOptionKey const | score::find_neighbors_stripehash ("score:find_neighbors_stripehash") |
StringOptionKey const | score::seqdep_refene_fname ("score:seqdep_refene_fname") |
StringOptionKey const | score::secondary_seqdep_refene_fname ("score:secondary_seqdep_refene_fname") |
BooleanOptionKey const | score::exact_occ_pairwise ("score:exact_occ_pairwise") |
BooleanOptionKey const | score::exact_occ_skip_Hbonders ("score:exact_occ_skip_Hbonders") |
BooleanOptionKey const | score::exact_occ_include_Hbond_contribution ("score:exact_occ_include_Hbond_contribution") |
BooleanOptionKey const | score::exact_occ_pairwise_by_res ("score:exact_occ_pairwise_by_res") |
BooleanOptionKey const | score::exact_occ_split_between_res ("score:exact_occ_split_between_res") |
BooleanOptionKey const | score::exact_occ_self_res_no_occ ("score:exact_occ_self_res_no_occ") |
RealOptionKey const | score::exact_occ_radius_scaling ("score:exact_occ_radius_scaling") |
StringVectorOptionKey const | score::ref_offsets ("score:ref_offsets") |
RealOptionKey const | score::ref_offset ("score:ref_offset") |
BooleanOptionKey const | score::output_residue_energies ("score:output_residue_energies") |
StringOptionKey const | score::fa_custom_pair_distance_file ("score:fa_custom_pair_distance_file") |
RealOptionKey const | score::disulf_matching_probe ("score:disulf_matching_probe") |
RealVectorOptionKey const | score::bonded_params ("score:bonded_params") |
StringOptionKey const | score::bonded_params_dir ("score:bonded_params_dir") |
StringOptionKey const | score::extra_improper_file ("score:extra_improper_file") |
RealOptionKey const | score::pro_close_planar_constraint ("score:pro_close_planar_constraint") |
BooleanOptionKey const | score::linear_bonded_potential ("score:linear_bonded_potential") |
RealOptionKey const | score::free_suite_bonus ("score:free_suite_bonus") |
RealOptionKey const | score::free_sugar_bonus ("score:free_sugar_bonus") |
RealOptionKey const | score::free_2HOprime_bonus ("score:free_2HOprime_bonus") |
RealOptionKey const | score::syn_G_potential_bonus ("score:syn_G_potential_bonus") |
RealOptionKey const | score::pack_phosphate_penalty ("score:pack_phosphate_penalty") |
RealOptionKey const | score::free_side_chain_bonus ("score:free_side_chain_bonus") |
IntegerVectorOptionKey const | score::rg_local_span ("score:rg_local_span") |
BooleanOptionKey const | score::unmodifypot ("score:unmodifypot") |
RealOptionKey const | score::conc ("score:conc") |
RealOptionKey const | score::loop_fixed_cost ("score:loop_fixed_cost") |
IntegerVectorOptionKey const | score::sidechain_buried ("score:sidechain_buried") |
IntegerVectorOptionKey const | score::sidechain_exposed ("score:sidechain_exposed") |
RealOptionKey const | score::elec_min_dis ("score:elec_min_dis") |
RealOptionKey const | score::elec_max_dis ("score:elec_max_dis") |
RealOptionKey const | score::elec_die ("score:elec_die") |
BooleanOptionKey const | score::elec_r_option ("score:elec_r_option") |
RealOptionKey const | score::intrares_elec_correction_scale ("score:intrares_elec_correction_scale") |
BooleanOptionKey const | score::smooth_fa_elec ("score:smooth_fa_elec") |
RealOptionKey const | score::facts_GBpair_cut ("score:facts_GBpair_cut") |
RealOptionKey const | score::facts_kappa ("score:facts_kappa") |
IntegerOptionKey const | score::facts_asp_patch ("score:facts_asp_patch") |
BooleanOptionKey const | score::facts_plane_to_self ("score:facts_plane_to_self") |
RealOptionKey const | score::facts_saltbridge_correction ("score:facts_saltbridge_correction") |
RealVectorOptionKey const | score::facts_dshift ("score:facts_dshift") |
RealOptionKey const | score::facts_die ("score:facts_die") |
BooleanOptionKey const | score::facts_binding_affinity ("score:facts_binding_affinity") |
BooleanOptionKey const | score::facts_intrascale_by_level ("score:facts_intrascale_by_level") |
RealVectorOptionKey const | score::facts_intbb_elec_scale ("score:facts_intbb_elec_scale") |
RealVectorOptionKey const | score::facts_intbb_solv_scale ("score:facts_intbb_solv_scale") |
RealVectorOptionKey const | score::facts_adjbb_elec_scale ("score:facts_adjbb_elec_scale") |
RealVectorOptionKey const | score::facts_adjbb_solv_scale ("score:facts_adjbb_solv_scale") |
RealVectorOptionKey const | score::facts_intbs_elec_scale ("score:facts_intbs_elec_scale") |
RealVectorOptionKey const | score::facts_intbs_solv_scale ("score:facts_intbs_solv_scale") |
RealVectorOptionKey const | score::facts_adjbs_elec_scale ("score:facts_adjbs_elec_scale") |
RealVectorOptionKey const | score::facts_adjbs_solv_scale ("score:facts_adjbs_solv_scale") |
RealVectorOptionKey const | score::facts_intsc_elec_scale ("score:facts_intsc_elec_scale") |
RealVectorOptionKey const | score::facts_intsc_solv_scale ("score:facts_intsc_solv_scale") |
StringOptionKey const | score::facts_charge_dir ("score:facts_charge_dir") |
StringOptionKey const | score::facts_eff_charge_dir ("score:facts_eff_charge_dir") |
StringVectorOptionKey const | score::facts_plane_aa ("score:facts_plane_aa") |
StringOptionKey const | score::facts_eq_type ("score:facts_eq_type") |
BooleanOptionKey const | score::length_dep_srbb ("score:length_dep_srbb") |
RealOptionKey const | score::ldsrbb_low_scale ("score:ldsrbb_low_scale") |
RealOptionKey const | score::ldsrbb_high_scale ("score:ldsrbb_high_scale") |
IntegerOptionKey const | score::ldsrbb_minlength ("score:ldsrbb_minlength") |
IntegerOptionKey const | score::ldsrbb_maxlength ("score:ldsrbb_maxlength") |
StringOptionKey const | score::nmer_ref_energies ("score:nmer_ref_energies") |
StringOptionKey const | score::nmer_ref_energies_list ("score:nmer_ref_energies_list") |
StringOptionKey const | score::nmer_pssm ("score:nmer_pssm") |
StringOptionKey const | score::nmer_pssm_list ("score:nmer_pssm_list") |
RealOptionKey const | score::nmer_pssm_scorecut ("score:nmer_pssm_scorecut") |
StringOptionKey const | score::nmer_svm ("score:nmer_svm") |
StringOptionKey const | score::nmer_svm_list ("score:nmer_svm_list") |
RealOptionKey const | score::nmer_svm_scorecut ("score:nmer_svm_scorecut") |
StringOptionKey const | score::nmer_svm_aa_matrix ("score:nmer_svm_aa_matrix") |
IntegerOptionKey const | score::nmer_svm_term_length ("score:nmer_svm_term_length") |
BooleanOptionKey const | score::nmer_svm_pssm_feat ("score:nmer_svm_pssm_feat") |
IntegerOptionKey const | score::nmer_ref_seq_length ("score:nmer_ref_seq_length") |
BooleanOptionKey const | score::just_calc_rmsd ("score:just_calc_rmsd") |
BooleanOptionKey const | score::saxs::saxs ("score:saxs") |
RealOptionKey const | score::saxs::min_score ("score:saxs:min_score") |
StringOptionKey const | score::saxs::custom_ff ("score:saxs:custom_ff") |
StringOptionKey const | score::saxs::print_i_calc ("score:saxs:print_i_calc") |
FileOptionKey const | score::saxs::ref_fa_spectrum ("score:saxs:ref_fa_spectrum") |
FileOptionKey const | score::saxs::ref_cen_spectrum ("score:saxs:ref_cen_spectrum") |
FileOptionKey const | score::saxs::ref_spectrum ("score:saxs:ref_spectrum") |
FileOptionKey const | score::saxs::ref_pddf ("score:saxs:ref_pddf") |
RealOptionKey const | score::saxs::d_min ("score:saxs:d_min") |
RealOptionKey const | score::saxs::d_max ("score:saxs:d_max") |
RealOptionKey const | score::saxs::d_step ("score:saxs:d_step") |
RealOptionKey const | score::saxs::q_min ("score:saxs:q_min") |
RealOptionKey const | score::saxs::q_max ("score:saxs:q_max") |
RealOptionKey const | score::saxs::q_step ("score:saxs:q_step") |
BooleanOptionKey const | score::saxs::fit_pddf_area ("score:saxs:fit_pddf_area") |
BooleanOptionKey const | packing::packing ("packing") |
BooleanOptionKey const | packing::repack_only ("packing:repack_only") |
BooleanOptionKey const | packing::prevent_repacking ("packing:prevent_repacking") |
RealOptionKey const | packing::cenrot_cutoff ("packing:cenrot_cutoff") |
BooleanOptionKey const | packing::ignore_ligand_chi ("packing:ignore_ligand_chi") |
IntegerOptionKey const | packing::ndruns ("packing:ndruns") |
BooleanOptionKey const | packing::soft_rep_design ("packing:soft_rep_design") |
BooleanOptionKey const | packing::use_electrostatic_repulsion ("packing:use_electrostatic_repulsion") |
BooleanOptionKey const | packing::dump_rotamer_sets ("packing:dump_rotamer_sets") |
RealOptionKey const | packing::dunbrack_prob_buried ("packing:dunbrack_prob_buried") |
RealOptionKey const | packing::dunbrack_prob_nonburied ("packing:dunbrack_prob_nonburied") |
BooleanOptionKey const | packing::no_optH ("packing:no_optH") |
BooleanOptionKey const | packing::optH_MCA ("packing:optH_MCA") |
BooleanOptionKey const | packing::pack_missing_sidechains ("packing:pack_missing_sidechains") |
BooleanOptionKey const | packing::preserve_c_beta ("packing:preserve_c_beta") |
BooleanOptionKey const | packing::flip_HNQ ("packing:flip_HNQ") |
IntegerVectorOptionKey const | packing::fix_his_tautomer ("packing:fix_his_tautomer") |
BooleanOptionKey const | packing::print_pymol_selection ("packing:print_pymol_selection") |
IntegerOptionKey const | packing::extrachi_cutoff ("packing:extrachi_cutoff") |
FileVectorOptionKey const | packing::resfile ("packing:resfile") |
RealOptionKey const | packing::outeriterations_scaling ("packing:outeriterations_scaling") |
RealOptionKey const | packing::inneriterations_scaling ("packing:inneriterations_scaling") |
StringVectorOptionKey const | packing::adducts ("packing:adducts") |
BooleanOptionKey const | packing::use_input_sc ("packing:use_input_sc") |
FileVectorOptionKey const | packing::unboundrot ("packing:unboundrot") |
RealOptionKey const | packing::max_rotbump_energy ("packing:max_rotbump_energy") |
BooleanOptionKey const | packing::lazy_ig ("packing:lazy_ig") |
BooleanOptionKey const | packing::double_lazy_ig ("packing:double_lazy_ig") |
IntegerOptionKey const | packing::linmem_ig ("packing:linmem_ig") |
IntegerOptionKey const | packing::multi_cool_annealer ("packing:multi_cool_annealer") |
RealVectorOptionKey const | packing::minpack_temp_schedule ("packing:minpack_temp_schedule") |
IntegerOptionKey const | packing::minpack_inner_iteration_scale ("packing:minpack_inner_iteration_scale") |
BooleanOptionKey const | packing::minpack_disable_bumpcheck ("packing:minpack_disable_bumpcheck") |
BooleanOptionKey const | packing::ex1::ex1 ("packing:ex1") |
IntegerOptionKey const | packing::ex1::level ("packing:ex1:level") |
BooleanOptionKey const | packing::ex1::operate ("packing:ex1:operate") |
BooleanOptionKey const | packing::ex2::ex2 ("packing:ex2") |
IntegerOptionKey const | packing::ex2::level ("packing:ex2:level") |
BooleanOptionKey const | packing::ex2::operate ("packing:ex2:operate") |
BooleanOptionKey const | packing::ex3::ex3 ("packing:ex3") |
IntegerOptionKey const | packing::ex3::level ("packing:ex3:level") |
BooleanOptionKey const | packing::ex3::operate ("packing:ex3:operate") |
BooleanOptionKey const | packing::ex4::ex4 ("packing:ex4") |
IntegerOptionKey const | packing::ex4::level ("packing:ex4:level") |
BooleanOptionKey const | packing::ex4::operate ("packing:ex4:operate") |
BooleanOptionKey const | packing::ex1aro::ex1aro ("packing:ex1aro") |
IntegerOptionKey const | packing::ex1aro::level ("packing:ex1aro:level") |
BooleanOptionKey const | packing::ex2aro::ex2aro ("packing:ex2aro") |
IntegerOptionKey const | packing::ex2aro::level ("packing:ex2aro:level") |
BooleanOptionKey const | packing::ex1aro_exposed::ex1aro_exposed ("packing:ex1aro_exposed") |
IntegerOptionKey const | packing::ex1aro_exposed::level ("packing:ex1aro_exposed:level") |
BooleanOptionKey const | packing::ex2aro_exposed::ex2aro_exposed ("packing:ex2aro_exposed") |
IntegerOptionKey const | packing::ex2aro_exposed::level ("packing:ex2aro_exposed:level") |
BooleanOptionKey const | packing::exdna::exdna ("packing:exdna") |
IntegerOptionKey const | packing::exdna::level ("packing:exdna:level") |
BooleanOptionKey const | archive::archive ("archive") |
BooleanOptionKey const | archive::reread_all_structures ("archive:reread_all_structures") |
IntegerOptionKey const | archive::completion_notify_frequency ("archive:completion_notify_frequency") |
BooleanOptionKey const | chemical::chemical ("chemical") |
StringVectorOptionKey const | chemical::exclude_patches ("chemical:exclude_patches") |
StringVectorOptionKey const | chemical::include_patches ("chemical:include_patches") |
BooleanOptionKey const | chemical::enlarge_H_lj ("chemical:enlarge_H_lj") |
StringVectorOptionKey const | chemical::add_atom_type_set_parameters ("chemical:add_atom_type_set_parameters") |
StringVectorOptionKey const | chemical::set_atom_properties ("chemical:set_atom_properties") |
StringVectorOptionKey const | chemical::patch_selectors ("chemical:patch_selectors") |
BooleanOptionKey const | chemical::override_rsd_type_limit ("chemical:override_rsd_type_limit") |
BooleanOptionKey const | constraints::constraints ("constraints") |
BooleanOptionKey const | constraints::exit_on_bad_read ("constraints:exit_on_bad_read") |
StringVectorOptionKey const | constraints::cst_file ("constraints:cst_file") |
RealOptionKey const | constraints::cst_weight ("constraints:cst_weight") |
RealOptionKey const | constraints::max_cst_dist ("constraints:max_cst_dist") |
StringVectorOptionKey const | constraints::cst_fa_file ("constraints:cst_fa_file") |
RealOptionKey const | constraints::cst_fa_weight ("constraints:cst_fa_weight") |
BooleanOptionKey const | constraints::normalize_mixture_func ("constraints:normalize_mixture_func") |
BooleanOptionKey const | constraints::penalize_mixture_func ("constraints:penalize_mixture_func") |
FileOptionKey const | constraints::forest_file ("constraints:forest_file") |
BooleanOptionKey const | constraints::compute_total_dist_cst ("constraints:compute_total_dist_cst") |
IntegerOptionKey const | constraints::cull_with_native ("constraints:cull_with_native") |
FileOptionKey const | constraints::dump_cst_set ("constraints:dump_cst_set") |
IntegerVectorOptionKey const | constraints::evaluate_max_seq_sep ("constraints:evaluate_max_seq_sep") |
BooleanOptionKey const | constraints::named ("constraints:named") |
BooleanOptionKey const | constraints::no_cst_in_relax ("constraints:no_cst_in_relax") |
BooleanOptionKey const | constraints::no_linearize_bounded ("constraints:no_linearize_bounded") |
RealOptionKey const | constraints::pocket_constraint_weight ("constraints:pocket_constraint_weight") |
BooleanOptionKey const | constraints::pocket_zero_derivatives ("constraints:pocket_zero_derivatives") |
BooleanOptionKey const | constraints::viol ("constraints:viol") |
IntegerOptionKey const | constraints::viol_level ("constraints:viol_level") |
StringOptionKey const | constraints::viol_type ("constraints:viol_type") |
RealOptionKey const | constraints::sog_cst_param ("constraints:sog_cst_param") |
RealOptionKey const | constraints::sog_upper_bound ("constraints:sog_upper_bound") |
BooleanOptionKey const | constraints::epr_distance ("constraints:epr_distance") |
IntegerOptionKey const | constraints::combine ("constraints:combine") |
FileOptionKey const | constraints::combine_exclude_region ("constraints:combine_exclude_region") |
BooleanOptionKey const | constraints::skip_redundant ("constraints:skip_redundant") |
IntegerOptionKey const | constraints::skip_redundant_width ("constraints:skip_redundant_width") |
BooleanOptionKey const | corrections::corrections ("corrections") |
BooleanOptionKey const | corrections::beta ("corrections:beta") |
BooleanOptionKey const | corrections::correct ("corrections:correct") |
BooleanOptionKey const | corrections::hbond_sp2_correction ("corrections:hbond_sp2_correction") |
BooleanOptionKey const | corrections::facts_default ("corrections:facts_default") |
BooleanOptionKey const | corrections::score::score ("corrections:score") |
BooleanOptionKey const | corrections::score::bbdep_omega ("corrections:score:bbdep_omega") |
BooleanOptionKey const | corrections::score::bbdep_bond_params ("corrections:score:bbdep_bond_params") |
BooleanOptionKey const | corrections::score::bbdep_bond_devs ("corrections:score:bbdep_bond_devs") |
BooleanOptionKey const | corrections::score::no_his_his_pairE ("corrections:score:no_his_his_pairE") |
BooleanOptionKey const | corrections::score::no_his_DE_pairE ("corrections:score:no_his_DE_pairE") |
StringOptionKey const | corrections::score::p_aa_pp ("corrections:score:p_aa_pp") |
BooleanOptionKey const | corrections::score::p_aa_pp_nogridshift ("corrections:score:p_aa_pp_nogridshift") |
BooleanOptionKey const | corrections::score::rama_not_squared ("corrections:score:rama_not_squared") |
FileOptionKey const | corrections::score::rama_map ("corrections:score:rama_map") |
BooleanOptionKey const | corrections::score::cenrot ("corrections:score:cenrot") |
BooleanOptionKey const | corrections::score::dun10 ("corrections:score:dun10") |
StringOptionKey const | corrections::score::dun10_dir ("corrections:score:dun10_dir") |
StringOptionKey const | corrections::score::dun02_file ("corrections:score:dun02_file") |
StringOptionKey const | corrections::score::ch_o_bond_potential ("corrections:score:ch_o_bond_potential") |
RealOptionKey const | corrections::score::lj_hbond_hdis ("corrections:score:lj_hbond_hdis") |
RealOptionKey const | corrections::score::lj_hbond_OH_donor_dis ("corrections:score:lj_hbond_OH_donor_dis") |
BooleanOptionKey const | corrections::score::score12prime ("corrections:score:score12prime") |
BooleanOptionKey const | corrections::score::talaris2014 ("corrections:score:talaris2014") |
RealOptionKey const | corrections::score::hbond_energy_shift ("corrections:score:hbond_energy_shift") |
RealOptionKey const | corrections::score::hb_sp2_BAH180_rise ("corrections:score:hb_sp2_BAH180_rise") |
RealOptionKey const | corrections::score::hb_sp2_outer_width ("corrections:score:hb_sp2_outer_width") |
BooleanOptionKey const | corrections::score::hb_sp2_chipen ("corrections:score:hb_sp2_chipen") |
BooleanOptionKey const | corrections::score::hbond_measure_sp3acc_BAH_from_hvy ("corrections:score:hbond_measure_sp3acc_BAH_from_hvy") |
BooleanOptionKey const | corrections::score::hb_fade_energy ("corrections:score:hb_fade_energy") |
BooleanOptionKey const | corrections::score::use_bicubic_interpolation ("corrections:score:use_bicubic_interpolation") |
BooleanOptionKey const | corrections::score::dun_normsd ("corrections:score:dun_normsd") |
BooleanOptionKey const | corrections::score::dun_entropy_correction ("corrections:score:dun_entropy_correction") |
BooleanOptionKey const | corrections::chemical::chemical ("corrections:chemical") |
BooleanOptionKey const | corrections::chemical::icoor_05_2009 ("corrections:chemical:icoor_05_2009") |
BooleanOptionKey const | corrections::chemical::parse_charge ("corrections:chemical:parse_charge") |
BooleanOptionKey const | corrections::chemical::expand_st_chi2sampling ("corrections:chemical:expand_st_chi2sampling") |
BooleanOptionKey const | evaluation::evaluation ("evaluation") |
FileVectorOptionKey const | evaluation::rmsd_target ("evaluation:rmsd_target") |
StringVectorOptionKey const | evaluation::rmsd_column ("evaluation:rmsd_column") |
FileVectorOptionKey const | evaluation::rmsd_select ("evaluation:rmsd_select") |
FileVectorOptionKey const | evaluation::align_rmsd_target ("evaluation:align_rmsd_target") |
FileVectorOptionKey const | evaluation::structural_similarity ("evaluation:structural_similarity") |
BooleanOptionKey const | evaluation::contact_map ("evaluation:contact_map") |
StringVectorOptionKey const | evaluation::jscore_evaluator ("evaluation:jscore_evaluator") |
StringVectorOptionKey const | evaluation::align_rmsd_column ("evaluation:align_rmsd_column") |
FileVectorOptionKey const | evaluation::align_rmsd_fns ("evaluation:align_rmsd_fns") |
StringOptionKey const | evaluation::align_rmsd_format ("evaluation:align_rmsd_format") |
StringOptionKey const | evaluation::predicted_burial_fn ("evaluation:predicted_burial_fn") |
FileOptionKey const | evaluation::pool ("evaluation:pool") |
FileVectorOptionKey const | evaluation::rmsd ("evaluation:rmsd") |
FileVectorOptionKey const | evaluation::chirmsd ("evaluation:chirmsd") |
BooleanOptionKey const | evaluation::gdtmm ("evaluation:gdtmm") |
BooleanOptionKey const | evaluation::gdttm ("evaluation:gdttm") |
BooleanOptionKey const | evaluation::score_with_rmsd ("evaluation:score_with_rmsd") |
FileVectorOptionKey const | evaluation::constraints ("evaluation:constraints") |
FileVectorOptionKey const | evaluation::constraints_column ("evaluation:constraints_column") |
FileVectorOptionKey const | evaluation::combined_constraints ("evaluation:combined_constraints") |
FileVectorOptionKey const | evaluation::combined_constraints_column ("evaluation:combined_constraints_column") |
IntegerOptionKey const | evaluation::combine_statistics ("evaluation:combine_statistics") |
StringVectorOptionKey const | evaluation::chemical_shifts ("evaluation:chemical_shifts") |
StringOptionKey const | evaluation::sparta_dir ("evaluation:sparta_dir") |
StringVectorOptionKey const | evaluation::cam_shifts ("evaluation:cam_shifts") |
StringVectorOptionKey const | evaluation::pales ("evaluation:pales") |
FileVectorOptionKey const | evaluation::extra_score ("evaluation:extra_score") |
FileVectorOptionKey const | evaluation::extra_score_patch ("evaluation:extra_score_patch") |
StringVectorOptionKey const | evaluation::extra_score_column ("evaluation:extra_score_column") |
FileVectorOptionKey const | evaluation::extra_score_select ("evaluation:extra_score_select") |
FileVectorOptionKey const | evaluation::rdc_target ("evaluation:rdc_target") |
BooleanOptionKey const | evaluation::symmetric_rmsd ("evaluation:symmetric_rmsd") |
StringVectorOptionKey const | evaluation::rdc_column ("evaluation:rdc_column") |
StringVectorOptionKey const | evaluation::rdc ("evaluation:rdc") |
StringOptionKey const | evaluation::built_in_rdc ("evaluation:built_in_rdc") |
BooleanOptionKey const | evaluation::jump_nr ("evaluation:jump_nr") |
IntegerVectorOptionKey const | evaluation::score_exclude_res ("evaluation:score_exclude_res") |
IntegerOptionKey const | evaluation::score_sscore_short_helix ("evaluation:score_sscore_short_helix") |
IntegerOptionKey const | evaluation::score_sscore_maxloop ("evaluation:score_sscore_maxloop") |
IntegerOptionKey const | evaluation::window_size ("evaluation:window_size") |
StringOptionKey const | evaluation::I_sc ("evaluation:I_sc") |
BooleanOptionKey const | evaluation::Irms ("evaluation:Irms") |
BooleanOptionKey const | evaluation::Ca_Irms ("evaluation:Ca_Irms") |
BooleanOptionKey const | evaluation::Fnat ("evaluation:Fnat") |
BooleanOptionKey const | evaluation::Lrmsd ("evaluation:Lrmsd") |
BooleanOptionKey const | evaluation::Fnonnat ("evaluation:Fnonnat") |
BooleanOptionKey const | evaluation::DockMetrics ("evaluation:DockMetrics") |
BooleanOptionKey const | filters::filters ("filters") |
BooleanOptionKey const | filters::disable_all_filters ("filters:disable_all_filters") |
BooleanOptionKey const | filters::disable_rg_filter ("filters:disable_rg_filter") |
BooleanOptionKey const | filters::disable_co_filter ("filters:disable_co_filter") |
BooleanOptionKey const | filters::disable_sheet_filter ("filters:disable_sheet_filter") |
RealOptionKey const | filters::set_pddf_filter ("filters:set_pddf_filter") |
RealOptionKey const | filters::set_saxs_filter ("filters:set_saxs_filter") |
BooleanOptionKey const | gpu::gpu ("gpu") |
IntegerOptionKey const | gpu::device ("gpu:device") |
IntegerOptionKey const | gpu::threads ("gpu:threads") |
BooleanOptionKey const | jumps::jumps ("jumps") |
BooleanOptionKey const | jumps::evaluate ("jumps:evaluate") |
FileOptionKey const | jumps::extra_frags_for_ss ("jumps:extra_frags_for_ss") |
BooleanOptionKey const | jumps::fix_chainbreak ("jumps:fix_chainbreak") |
FileOptionKey const | jumps::fix_jumps ("jumps:fix_jumps") |
FileOptionKey const | jumps::jump_lib ("jumps:jump_lib") |
FileOptionKey const | jumps::loop_definition_from_file ("jumps:loop_definition_from_file") |
BooleanOptionKey const | jumps::no_chainbreak_in_relax ("jumps:no_chainbreak_in_relax") |
FileOptionKey const | jumps::pairing_file ("jumps:pairing_file") |
IntegerVectorOptionKey const | jumps::random_sheets ("jumps:random_sheets") |
FileOptionKey const | jumps::residue_pair_jump_file ("jumps:residue_pair_jump_file") |
IntegerVectorOptionKey const | jumps::sheets ("jumps:sheets") |
FileOptionKey const | jumps::topology_file ("jumps:topology_file") |
BooleanOptionKey const | jumps::bb_moves ("jumps:bb_moves") |
BooleanOptionKey const | jumps::no_wobble ("jumps:no_wobble") |
BooleanOptionKey const | jumps::no_shear ("jumps:no_shear") |
BooleanOptionKey const | jumps::no_sample_ss_jumps ("jumps:no_sample_ss_jumps") |
IntegerOptionKey const | jumps::invrate_jump_move ("jumps:invrate_jump_move") |
RealOptionKey const | jumps::chainbreak_weight_stage1 ("jumps:chainbreak_weight_stage1") |
RealOptionKey const | jumps::chainbreak_weight_stage2 ("jumps:chainbreak_weight_stage2") |
RealOptionKey const | jumps::chainbreak_weight_stage3 ("jumps:chainbreak_weight_stage3") |
RealOptionKey const | jumps::chainbreak_weight_stage4 ("jumps:chainbreak_weight_stage4") |
BooleanOptionKey const | jumps::ramp_chainbreaks ("jumps:ramp_chainbreaks") |
RealOptionKey const | jumps::increase_chainbreak ("jumps:increase_chainbreak") |
BooleanOptionKey const | jumps::overlap_chainbreak ("jumps:overlap_chainbreak") |
RealOptionKey const | jumps::sep_switch_accelerate ("jumps:sep_switch_accelerate") |
BooleanOptionKey const | jumps::dump_frags ("jumps:dump_frags") |
IntegerOptionKey const | jumps::njumps ("jumps:njumps") |
IntegerOptionKey const | jumps::max_strand_gap_allowed ("jumps:max_strand_gap_allowed") |
RealOptionKey const | jumps::contact_score ("jumps:contact_score") |
BooleanOptionKey const | jumps::filter_templates ("jumps:filter_templates") |
BooleanOptionKey const | loops::loops ("loops") |
StringOptionKey const | loops::cen_weights ("loops:cen_weights") |
StringOptionKey const | loops::cen_patch ("loops:cen_patch") |
FileOptionKey const | loops::input_pdb ("loops:input_pdb") |
StringVectorOptionKey const | loops::loop_file ("loops:loop_file") |
FileOptionKey const | loops::extended_loop_file ("loops:extended_loop_file") |
FileOptionKey const | loops::mm_loop_file ("loops:mm_loop_file") |
BooleanOptionKey const | loops::fix_natsc ("loops:fix_natsc") |
BooleanOptionKey const | loops::refine_only ("loops:refine_only") |
BooleanOptionKey const | loops::fast ("loops:fast") |
FileOptionKey const | loops::vall_file ("loops:vall_file") |
IntegerVectorOptionKey const | loops::frag_sizes ("loops:frag_sizes") |
FileVectorOptionKey const | loops::frag_files ("loops:frag_files") |
FileOptionKey const | loops::output_pdb ("loops:output_pdb") |
BooleanOptionKey const | loops::debug ("loops:debug") |
BooleanOptionKey const | loops::build_initial ("loops:build_initial") |
BooleanOptionKey const | loops::extended ("loops:extended") |
BooleanOptionKey const | loops::remove_extended_loops ("loops:remove_extended_loops") |
BooleanOptionKey const | loops::idealize_after_loop_close ("loops:idealize_after_loop_close") |
BooleanOptionKey const | loops::idealize_before_loop_close ("loops:idealize_before_loop_close") |
IntegerOptionKey const | loops::select_best_loop_from ("loops:select_best_loop_from") |
IntegerOptionKey const | loops::build_attempts ("loops:build_attempts") |
IntegerOptionKey const | loops::grow_attempts ("loops:grow_attempts") |
RealOptionKey const | loops::random_grow_loops_by ("loops:random_grow_loops_by") |
BooleanOptionKey const | loops::accept_aborted_loops ("loops:accept_aborted_loops") |
BooleanOptionKey const | loops::strict_loops ("loops:strict_loops") |
BooleanOptionKey const | loops::superimpose_native ("loops:superimpose_native") |
IntegerVectorOptionKey const | loops::build_specific_loops ("loops:build_specific_loops") |
BooleanOptionKey const | loops::random_order ("loops:random_order") |
BooleanOptionKey const | loops::build_all_loops ("loops:build_all_loops") |
BooleanOptionKey const | loops::fa_closure_protocol ("loops:fa_closure_protocol") |
RealOptionKey const | loops::combine_rate ("loops:combine_rate") |
StringOptionKey const | loops::remodel ("loops:remodel") |
StringOptionKey const | loops::intermedrelax ("loops:intermedrelax") |
StringOptionKey const | loops::refine ("loops:refine") |
StringOptionKey const | loops::relax ("loops:relax") |
BooleanOptionKey const | loops::final_clean_fastrelax ("loops:final_clean_fastrelax") |
BooleanOptionKey const | loops::relax_with_foldtree ("loops:relax_with_foldtree") |
RealOptionKey const | loops::constrain_rigid_segments ("loops:constrain_rigid_segments") |
StringOptionKey const | loops::loopscores ("loops:loopscores") |
BooleanOptionKey const | loops::timer ("loops:timer") |
BooleanOptionKey const | loops::vicinity_sampling ("loops:vicinity_sampling") |
RealOptionKey const | loops::vicinity_degree ("loops:vicinity_degree") |
RealOptionKey const | loops::neighbor_dist ("loops:neighbor_dist") |
IntegerOptionKey const | loops::kic_max_seglen ("loops:kic_max_seglen") |
BooleanOptionKey const | loops::kic_recover_last ("loops:kic_recover_last") |
BooleanOptionKey const | loops::kic_min_after_repack ("loops:kic_min_after_repack") |
BooleanOptionKey const | loops::optimize_only_kic_region_sidechains_after_move ("loops:optimize_only_kic_region_sidechains_after_move") |
IntegerOptionKey const | loops::max_kic_build_attempts ("loops:max_kic_build_attempts") |
IntegerOptionKey const | loops::remodel_kic_attempts ("loops:remodel_kic_attempts") |
IntegerOptionKey const | loops::max_kic_perturber_samples ("loops:max_kic_perturber_samples") |
BooleanOptionKey const | loops::nonpivot_torsion_sampling ("loops:nonpivot_torsion_sampling") |
BooleanOptionKey const | loops::fix_ca_bond_angles ("loops:fix_ca_bond_angles") |
BooleanOptionKey const | loops::kic_use_linear_chainbreak ("loops:kic_use_linear_chainbreak") |
BooleanOptionKey const | loops::sample_omega_at_pre_prolines ("loops:sample_omega_at_pre_prolines") |
BooleanOptionKey const | loops::allow_omega_move ("loops:allow_omega_move") |
BooleanOptionKey const | loops::kic_with_cartmin ("loops:kic_with_cartmin") |
BooleanOptionKey const | loops::allow_takeoff_torsion_move ("loops:allow_takeoff_torsion_move") |
IntegerOptionKey const | loops::extend_length ("loops:extend_length") |
IntegerOptionKey const | loops::outer_cycles ("loops:outer_cycles") |
IntegerOptionKey const | loops::max_inner_cycles ("loops:max_inner_cycles") |
IntegerOptionKey const | loops::repack_period ("loops:repack_period") |
RealOptionKey const | loops::remodel_init_temp ("loops:remodel_init_temp") |
RealOptionKey const | loops::remodel_final_temp ("loops:remodel_final_temp") |
RealOptionKey const | loops::refine_init_temp ("loops:refine_init_temp") |
RealOptionKey const | loops::refine_final_temp ("loops:refine_final_temp") |
IntegerOptionKey const | loops::gapspan ("loops:gapspan") |
IntegerOptionKey const | loops::spread ("loops:spread") |
IntegerOptionKey const | loops::kinematic_wrapper_cycles ("loops:kinematic_wrapper_cycles") |
IntegerOptionKey const | loops::kic_num_rotamer_trials ("loops:kic_num_rotamer_trials") |
BooleanOptionKey const | loops::kic_omega_sampling ("loops:kic_omega_sampling") |
RealOptionKey const | loops::kic_bump_overlap_factor ("loops:kic_bump_overlap_factor") |