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Rosetta
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Functions | |
| IntegerOptionKey const | ms::checkpoint::interval ("ms:checkpoint:interval") |
| BooleanOptionKey const | ms::checkpoint::gz ("ms:checkpoint:gz") |
| BooleanOptionKey const | ms::checkpoint::rename ("ms:checkpoint:rename") |
| BooleanOptionKey const | mutate::mutate ("mutate") |
| StringVectorOptionKey const | mutate::mutation ("mutate:mutation") |
| StringOptionKey const | mutate::mutant_file ("mutate:mutant_file") |
| BooleanOptionKey const | nmr::nmr ("nmr") |
| BooleanOptionKey const | nmr::pcs::pcs ("nmr:pcs") |
| FileOptionKey const | nmr::pcs::input_file ("nmr:pcs:input_file") |
| IntegerOptionKey const | nmr::pcs::nls_repeats ("nmr:pcs:nls_repeats") |
| BooleanOptionKey const | nmr::pcs::optimize_tensor ("nmr:pcs:optimize_tensor") |
| RealVectorOptionKey const | nmr::pcs::multiset_weights ("nmr:pcs:multiset_weights") |
| BooleanOptionKey const | nmr::pcs::normalize_data ("nmr:pcs:normalize_data") |
| BooleanOptionKey const | nmr::pcs::use_symmetry_calc ("nmr:pcs:use_symmetry_calc") |
| BooleanOptionKey const | nmr::pcs::show_info ("nmr:pcs:show_info") |
| BooleanOptionKey const | nmr::rdc::rdc ("nmr:rdc") |
| FileOptionKey const | nmr::rdc::input_file ("nmr:rdc:input_file") |
| IntegerOptionKey const | nmr::rdc::nls_repeats ("nmr:rdc:nls_repeats") |
| RealVectorOptionKey const | nmr::rdc::multiset_weights ("nmr:rdc:multiset_weights") |
| BooleanOptionKey const | nmr::rdc::use_symmetry_calc ("nmr:rdc:use_symmetry_calc") |
| BooleanOptionKey const | nmr::rdc::show_info ("nmr:rdc:show_info") |
| StringOptionKey const | nmr::rdc::normalization_type ("nmr:rdc:normalization_type") |
| BooleanOptionKey const | nmr::rdc::correct_sign ("nmr:rdc:correct_sign") |
| BooleanOptionKey const | nmr::pre::pre ("nmr:pre") |
| FileOptionKey const | nmr::pre::input_file ("nmr:pre:input_file") |
| IntegerOptionKey const | nmr::pre::nls_repeats ("nmr:pre:nls_repeats") |
| BooleanOptionKey const | nmr::pre::optimize_para_ion_position ("nmr:pre:optimize_para_ion_position") |
| RealVectorOptionKey const | nmr::pre::multiset_weights ("nmr:pre:multiset_weights") |
| BooleanOptionKey const | nmr::pre::normalize_data ("nmr:pre:normalize_data") |
| BooleanOptionKey const | nmr::pre::use_symmetry_calc ("nmr:pre:use_symmetry_calc") |
| BooleanOptionKey const | nmr::pre::show_info ("nmr:pre:show_info") |
| BooleanOptionKey const | nmr::spinlabel::spinlabel ("nmr:spinlabel") |
| IntegerOptionKey const | nmr::spinlabel::max_ensemble_size ("nmr:spinlabel:max_ensemble_size") |
| StringOptionKey const | nmr::spinlabel::highres_conformer_filter_type ("nmr:spinlabel:highres_conformer_filter_type") |
| BooleanOptionKey const | nmr::spinlabel::elaborate_rotamer_clash_check ("nmr:spinlabel:elaborate_rotamer_clash_check") |
| RealOptionKey const | nmr::spinlabel::boltzmann_kt ("nmr:spinlabel:boltzmann_kt") |
| BooleanOptionKey const | nmr::score::score ("nmr:score") |
| BooleanOptionKey const | nmr::score::verbose ("nmr:score:verbose") |
| BooleanOptionKey const | nmr::score::output_exp_calc ("nmr:score:output_exp_calc") |
| BooleanOptionKey const | nmr::score::output_tensor_info ("nmr:score:output_tensor_info") |
| BooleanOptionKey const | nonlocal::nonlocal ("nonlocal") |
| FileOptionKey const | nonlocal::chunks ("nonlocal:chunks") |
| BooleanOptionKey const | nonlocal::randomize_missing ("nonlocal:randomize_missing") |
| BooleanOptionKey const | optE::optE ("optE") |
| StringOptionKey const | optE::load_from_silent ("optE:load_from_silent") |
| StringOptionKey const | optE::data_in ("optE:data_in") |
| StringOptionKey const | optE::data_out ("optE:data_out") |
| StringOptionKey const | optE::weights ("optE:weights") |
| StringVectorOptionKey const | optE::fix ("optE:fix") |
| FileOptionKey const | optE::free ("optE:free") |
| FileOptionKey const | optE::fixed ("optE:fixed") |
| FileOptionKey const | optE::parse_tagfile ("optE:parse_tagfile") |
| FileOptionKey const | optE::constant_logic_taskops_file ("optE:constant_logic_taskops_file") |
| BooleanOptionKey const | optE::optE_soft_rep ("optE:optE_soft_rep") |
| BooleanOptionKey const | optE::no_hb_env_dependence ("optE:no_hb_env_dependence") |
| BooleanOptionKey const | optE::no_hb_env_dependence_DNA ("optE:no_hb_env_dependence_DNA") |
| BooleanOptionKey const | optE::optE_no_protein_fa_elec ("optE:optE_no_protein_fa_elec") |
| BooleanOptionKey const | optE::include_intra_res_protein ("optE:include_intra_res_protein") |
| BooleanOptionKey const | optE::centroid_rot ("optE:centroid_rot") |
| BooleanOptionKey const | optE::centroid_rot_min ("optE:centroid_rot_min") |
| BooleanOptionKey const | optE::design_first ("optE:design_first") |
| IntegerOptionKey const | optE::n_design_cycles ("optE:n_design_cycles") |
| BooleanOptionKey const | optE::recover_nat_rot ("optE:recover_nat_rot") |
| FileOptionKey const | optE::component_weights ("optE:component_weights") |
| BooleanOptionKey const | optE::optimize_nat_aa ("optE:optimize_nat_aa") |
| BooleanOptionKey const | optE::optimize_nat_rot ("optE:optimize_nat_rot") |
| FileOptionKey const | optE::optimize_ligand_rot ("optE:optimize_ligand_rot") |
| BooleanOptionKey const | optE::optimize_pssm ("optE:optimize_pssm") |
| FileOptionKey const | optE::optimize_dGbinding ("optE:optimize_dGbinding") |
| FileOptionKey const | optE::optimize_ddG_bind_correlation ("optE:optimize_ddG_bind_correlation") |
| FileOptionKey const | optE::optimize_ddGmutation ("optE:optimize_ddGmutation") |
| BooleanOptionKey const | optE::optimize_ddGmutation_straight_mean ("optE:optimize_ddGmutation_straight_mean") |
| BooleanOptionKey const | optE::optimize_ddGmutation_boltzman_average ("optE:optimize_ddGmutation_boltzman_average") |
| RealOptionKey const | optE::exclude_badrep_ddGs ("optE:exclude_badrep_ddGs") |
| BooleanOptionKey const | optE::pretend_no_ddG_repulsion ("optE:pretend_no_ddG_repulsion") |
| FileOptionKey const | optE::optimize_decoy_discrimination ("optE:optimize_decoy_discrimination") |
| StringOptionKey const | optE::normalize_decoy_score_spread ("optE:normalize_decoy_score_spread") |
| BooleanOptionKey const | optE::ramp_nativeness ("optE:ramp_nativeness") |
| IntegerOptionKey const | optE::n_top_natives_to_optimize ("optE:n_top_natives_to_optimize") |
| RealOptionKey const | optE::approximate_decoy_entropy ("optE:approximate_decoy_entropy") |
| BooleanOptionKey const | optE::repack_and_minimize_decoys ("optE:repack_and_minimize_decoys") |
| BooleanOptionKey const | optE::repack_and_minimize_input_structures ("optE:repack_and_minimize_input_structures") |
| IntegerOptionKey const | optE::output_top_n_new_decoys ("optE:output_top_n_new_decoys") |
| FileOptionKey const | optE::optimize_ligand_discrimination ("optE:optimize_ligand_discrimination") |
| BooleanOptionKey const | optE::no_design ("optE:no_design") |
| BooleanOptionKey const | optE::sqrt_pssm ("optE:sqrt_pssm") |
| RealOptionKey const | optE::min_decoy_rms_to_native ("optE:min_decoy_rms_to_native") |
| RealOptionKey const | optE::max_rms_from_native ("optE:max_rms_from_native") |
| BooleanOptionKey const | optE::optimize_starting_free_weights ("optE:optimize_starting_free_weights") |
| FileOptionKey const | optE::wrap_dof_optimization ("optE:wrap_dof_optimization") |
| RealOptionKey const | optE::randomly_perturb_starting_free_weights ("optE:randomly_perturb_starting_free_weights") |
| RealOptionKey const | optE::inv_kT_natrot ("optE:inv_kT_natrot") |
| RealOptionKey const | optE::inv_kT_nataa ("optE:inv_kT_nataa") |
| RealOptionKey const | optE::inv_kT_natstruct ("optE:inv_kT_natstruct") |
| BooleanOptionKey const | optE::mpi_weight_minimization ("optE:mpi_weight_minimization") |
| BooleanOptionKey const | optE::dont_use_reference_energies ("optE:dont_use_reference_energies") |
| IntegerOptionKey const | optE::number_of_swarm_particles ("optE:number_of_swarm_particles") |
| IntegerOptionKey const | optE::number_of_swarm_cycles ("optE:number_of_swarm_cycles") |
| FileOptionKey const | optE::constrain_weights ("optE:constrain_weights") |
| BooleanOptionKey const | optE::fit_reference_energies_to_aa_profile_recovery ("optE:fit_reference_energies_to_aa_profile_recovery") |
| FileOptionKey const | optE::starting_refEs ("optE:starting_refEs") |
| BooleanOptionKey const | optE::repeat_swarm_optimization_until_fitness_improves ("optE:repeat_swarm_optimization_until_fitness_improves") |
| BooleanOptionKey const | optE::design_with_minpack ("optE:design_with_minpack") |
| BooleanOptionKey const | optE::design_with_fast_design ("optE:design_with_fast_design") |
| BooleanOptionKey const | optE::design_with_offrotpack ("optE:design_with_offrotpack") |
| BooleanOptionKey const | optE::limit_bad_scores ("optE:limit_bad_scores") |
| BooleanOptionKey const | optE::no_design_pdb_output ("optE:no_design_pdb_output") |
| BooleanOptionKey const | optE::rescore::rescore ("optE:rescore") |
| FileOptionKey const | optE::rescore::weights ("optE:rescore:weights") |
| IntegerOptionKey const | optE::rescore::context_round ("optE:rescore:context_round") |
| FileOptionKey const | optE::rescore::outlog ("optE:rescore:outlog") |
| BooleanOptionKey const | optE::rescore::measure_sequence_recovery ("optE:rescore:measure_sequence_recovery") |
| BooleanOptionKey const | packstat::packstat ("packstat") |
| BooleanOptionKey const | packstat::include_water ("packstat:include_water") |
| IntegerOptionKey const | packstat::oversample ("packstat:oversample") |
| BooleanOptionKey const | packstat::packstat_pdb ("packstat:packstat_pdb") |
| BooleanOptionKey const | packstat::surface_accessibility ("packstat:surface_accessibility") |
| BooleanOptionKey const | packstat::residue_scores ("packstat:residue_scores") |
| RealOptionKey const | packstat::cavity_burial_probe_radius ("packstat:cavity_burial_probe_radius") |
| BooleanOptionKey const | packstat::raw_stats ("packstat:raw_stats") |
| IntegerOptionKey const | packstat::threads ("packstat:threads") |
| RealOptionKey const | packstat::cluster_min_volume ("packstat:cluster_min_volume") |
| RealOptionKey const | packstat::min_surface_accessibility ("packstat:min_surface_accessibility") |
| RealOptionKey const | packstat::min_cluster_overlap ("packstat:min_cluster_overlap") |
| RealOptionKey const | packstat::min_cav_ball_radius ("packstat:min_cav_ball_radius") |
| BooleanOptionKey const | patterson::patterson ("patterson") |
| RealOptionKey const | patterson::weight ("patterson:weight") |
| RealOptionKey const | patterson::sc_scaling ("patterson:sc_scaling") |
| RealVectorOptionKey const | patterson::radius_cutoffs ("patterson:radius_cutoffs") |
| RealVectorOptionKey const | patterson::resolution_cutoffs ("patterson:resolution_cutoffs") |
| RealOptionKey const | patterson::Bsol ("patterson:Bsol") |
| RealOptionKey const | patterson::Fsol ("patterson:Fsol") |
| RealOptionKey const | patterson::model_B ("patterson:model_B") |
| RealOptionKey const | patterson::rmsd ("patterson:rmsd") |
| BooleanOptionKey const | patterson::no_ecalc ("patterson:no_ecalc") |
| IntegerOptionKey const | patterson::nshells ("patterson:nshells") |
| BooleanOptionKey const | patterson::use_spline_interpolation ("patterson:use_spline_interpolation") |
| BooleanOptionKey const | patterson::use_on_repack ("patterson:use_on_repack") |
| BooleanOptionKey const | patterson::dont_use_symm_in_pcalc ("patterson:dont_use_symm_in_pcalc") |
| BooleanOptionKey const | pb_potential::pb_potential ("pb_potential") |
| IntegerVectorOptionKey const | pb_potential::charged_chains ("pb_potential:charged_chains") |
| BooleanOptionKey const | pb_potential::sidechain_only ("pb_potential:sidechain_only") |
| IntegerVectorOptionKey const | pb_potential::revamp_near_chain ("pb_potential:revamp_near_chain") |
| StringOptionKey const | pb_potential::apbs_path ("pb_potential:apbs_path") |
| RealOptionKey const | pb_potential::potential_cap ("pb_potential:potential_cap") |
| RealOptionKey const | pb_potential::tolerance ("pb_potential:tolerance") |
| IntegerOptionKey const | pb_potential::apbs_debug ("pb_potential:apbs_debug") |
| BooleanOptionKey const | pb_potential::calcenergy ("pb_potential:calcenergy") |
| BooleanOptionKey const | PCS::PCS ("PCS") |
| FileOptionKey const | PCS::write_extra ("PCS:write_extra") |
| IntegerOptionKey const | PCS::normalization_id ("PCS:normalization_id") |
| BooleanOptionKey const | PCSTS1::PCSTS1 ("PCSTS1") |
| FileOptionKey const | PCSTS1::write_extra ("PCSTS1:write_extra") |
| IntegerOptionKey const | PCSTS1::normalization_id ("PCSTS1:normalization_id") |
| BooleanOptionKey const | PCSTS2::PCSTS2 ("PCSTS2") |
| FileOptionKey const | PCSTS2::write_extra ("PCSTS2:write_extra") |
| IntegerOptionKey const | PCSTS2::normalization_id ("PCSTS2:normalization_id") |
| BooleanOptionKey const | PCSTS3::PCSTS3 ("PCSTS3") |
| FileOptionKey const | PCSTS3::write_extra ("PCSTS3:write_extra") |
| IntegerOptionKey const | PCSTS3::normalization_id ("PCSTS3:normalization_id") |
| BooleanOptionKey const | PCSTS4::PCSTS4 ("PCSTS4") |
| FileOptionKey const | PCSTS4::write_extra ("PCSTS4:write_extra") |
| IntegerOptionKey const | PCSTS4::normalization_id ("PCSTS4:normalization_id") |
| BooleanOptionKey const | pepspec::pepspec ("pepspec") |
| StringOptionKey const | pepspec::soft_wts ("pepspec:soft_wts") |
| StringOptionKey const | pepspec::cen_wts ("pepspec:cen_wts") |
| BooleanOptionKey const | pepspec::binding_score ("pepspec:binding_score") |
| BooleanOptionKey const | pepspec::no_cen ("pepspec:no_cen") |
| BooleanOptionKey const | pepspec::no_cen_rottrials ("pepspec:no_cen_rottrials") |
| BooleanOptionKey const | pepspec::run_sequential ("pepspec:run_sequential") |
| IntegerOptionKey const | pepspec::pep_anchor ("pepspec:pep_anchor") |
| StringOptionKey const | pepspec::pep_chain ("pepspec:pep_chain") |
| IntegerOptionKey const | pepspec::n_peptides ("pepspec:n_peptides") |
| IntegerOptionKey const | pepspec::n_build_loop ("pepspec:n_build_loop") |
| IntegerOptionKey const | pepspec::n_cgrelax_loop ("pepspec:n_cgrelax_loop") |
| IntegerOptionKey const | pepspec::n_dock_loop ("pepspec:n_dock_loop") |
| RealOptionKey const | pepspec::interface_cutoff ("pepspec:interface_cutoff") |
| BooleanOptionKey const | pepspec::use_input_bb ("pepspec:use_input_bb") |
| BooleanOptionKey const | pepspec::remove_input_bb ("pepspec:remove_input_bb") |
| StringOptionKey const | pepspec::homol_csts ("pepspec:homol_csts") |
| RealOptionKey const | pepspec::p_homol_csts ("pepspec:p_homol_csts") |
| BooleanOptionKey const | pepspec::gen_pep_bb_sequential ("pepspec:gen_pep_bb_sequential") |
| StringOptionKey const | pepspec::input_seq ("pepspec:input_seq") |
| StringOptionKey const | pepspec::ss_type ("pepspec:ss_type") |
| BooleanOptionKey const | pepspec::upweight_interface ("pepspec:upweight_interface") |
| BooleanOptionKey const | pepspec::calc_sasa ("pepspec:calc_sasa") |
| BooleanOptionKey const | pepspec::diversify_pep_seqs ("pepspec:diversify_pep_seqs") |
| IntegerOptionKey const | pepspec::diversify_lvl ("pepspec:diversify_lvl") |
| BooleanOptionKey const | pepspec::dump_cg_bb ("pepspec:dump_cg_bb") |
| BooleanOptionKey const | pepspec::save_low_pdbs ("pepspec:save_low_pdbs") |
| BooleanOptionKey const | pepspec::save_all_pdbs ("pepspec:save_all_pdbs") |
| BooleanOptionKey const | pepspec::no_design ("pepspec:no_design") |
| StringOptionKey const | pepspec::pdb_list ("pepspec:pdb_list") |
| StringOptionKey const | pepspec::ref_pdb_list ("pepspec:ref_pdb_list") |
| BooleanOptionKey const | pepspec::add_buffer_res ("pepspec:add_buffer_res") |
| StringOptionKey const | pepspec::cg_res_type ("pepspec:cg_res_type") |
| IntegerOptionKey const | pepspec::native_pep_anchor ("pepspec:native_pep_anchor") |
| StringOptionKey const | pepspec::native_pep_chain ("pepspec:native_pep_chain") |
| BooleanOptionKey const | pepspec::native_align ("pepspec:native_align") |
| BooleanOptionKey const | pepspec::rmsd_analysis ("pepspec:rmsd_analysis") |
| StringOptionKey const | pepspec::anchor_type ("pepspec:anchor_type") |
| BooleanOptionKey const | pepspec::no_prepack_prot ("pepspec:no_prepack_prot") |
| BooleanOptionKey const | pepspec::prep_use_ref_rotamers ("pepspec:prep_use_ref_rotamers") |
| IntegerOptionKey const | pepspec::n_prepend ("pepspec:n_prepend") |
| IntegerOptionKey const | pepspec::n_append ("pepspec:n_append") |
| RealOptionKey const | pepspec::clash_cutoff ("pepspec:clash_cutoff") |
| RealOptionKey const | pepspec::n_anchor_dock_std_devs ("pepspec:n_anchor_dock_std_devs") |
| RealOptionKey const | pepspec::prep_trans_std_dev ("pepspec:prep_trans_std_dev") |
| RealOptionKey const | pepspec::prep_rot_std_dev ("pepspec:prep_rot_std_dev") |
| BooleanOptionKey const | pepspec::seq_align ("pepspec:seq_align") |
| StringOptionKey const | pepspec::prep_align_prot_to ("pepspec:prep_align_prot_to") |
| BooleanOptionKey const | pH::pH ("pH") |
| BooleanOptionKey const | pH::pH_mode ("pH:pH_mode") |
| BooleanOptionKey const | pH::keep_input_protonation_state ("pH:keep_input_protonation_state") |
| RealOptionKey const | pH::value_pH ("pH:value_pH") |
| BooleanOptionKey const | pH::calc_pka::calc_pka ("pH:calc_pka") |
| BooleanOptionKey const | pH::calc_pka::pka_all ("pH:calc_pka:pka_all") |
| RealVectorOptionKey const | pH::calc_pka::pka_for_resnos ("pH:calc_pka:pka_for_resnos") |
| StringOptionKey const | pH::calc_pka::pka_for_chainno ("pH:calc_pka:pka_for_chainno") |
| BooleanOptionKey const | pH::calc_pka::pH_neighbor_pack ("pH:calc_pka:pH_neighbor_pack") |
| RealOptionKey const | pH::calc_pka::pka_rad ("pH:calc_pka:pka_rad") |
| BooleanOptionKey const | pH::calc_pka::pH_prepack ("pH:calc_pka:pH_prepack") |
| BooleanOptionKey const | pH::calc_pka::pH_relax ("pH:calc_pka:pH_relax") |
| BooleanOptionKey const | pH::calc_pka::rotamer_prot_stats ("pH:calc_pka:rotamer_prot_stats") |
| FileVectorOptionKey const | pH::pH_unbound ("pH:pH_unbound") |
| BooleanOptionKey const | pH::output_raw_scores ("pH:output_raw_scores") |
| BooleanOptionKey const | pH::pre_process ("pH:pre_process") |
| StringOptionKey const | pH::cognate_partners ("pH:cognate_partners") |
| FileOptionKey const | pH::cognate_pdb ("pH:cognate_pdb") |
| BooleanOptionKey const | pocket_grid::pocket_grid ("pocket_grid") |
| RealOptionKey const | pocket_grid::pocket_grid_size ("pocket_grid:pocket_grid_size") |
| RealOptionKey const | pocket_grid::pocket_grid_size_x ("pocket_grid:pocket_grid_size_x") |
| RealOptionKey const | pocket_grid::pocket_grid_size_y ("pocket_grid:pocket_grid_size_y") |
| RealOptionKey const | pocket_grid::pocket_grid_size_z ("pocket_grid:pocket_grid_size_z") |
| RealOptionKey const | pocket_grid::pocket_grid_spacing ("pocket_grid:pocket_grid_spacing") |
| RealOptionKey const | pocket_grid::pocket_max_spacing ("pocket_grid:pocket_max_spacing") |
| RealOptionKey const | pocket_grid::pocket_min_size ("pocket_grid:pocket_min_size") |
| RealOptionKey const | pocket_grid::pocket_max_size ("pocket_grid:pocket_max_size") |
| RealOptionKey const | pocket_grid::pocket_probe_radius ("pocket_grid:pocket_probe_radius") |
| StringOptionKey const | pocket_grid::central_relax_pdb_num ("pocket_grid:central_relax_pdb_num") |
| IntegerOptionKey const | pocket_grid::pocket_ntrials ("pocket_grid:pocket_ntrials") |
| IntegerOptionKey const | pocket_grid::pocket_num_angles ("pocket_grid:pocket_num_angles") |
| BooleanOptionKey const | pocket_grid::pocket_side ("pocket_grid:pocket_side") |
| BooleanOptionKey const | pocket_grid::pocket_dump_pdbs ("pocket_grid:pocket_dump_pdbs") |
| BooleanOptionKey const | pocket_grid::pocket_dump_exemplars ("pocket_grid:pocket_dump_exemplars") |
| BooleanOptionKey const | pocket_grid::pocket_filter_by_exemplar ("pocket_grid:pocket_filter_by_exemplar") |
| BooleanOptionKey const | pocket_grid::pocket_limit_exemplar_color ("pocket_grid:pocket_limit_exemplar_color") |
| BooleanOptionKey const | pocket_grid::pocket_limit_small_exemplars ("pocket_grid:pocket_limit_small_exemplars") |
| BooleanOptionKey const | pocket_grid::pocket_dump_rama ("pocket_grid:pocket_dump_rama") |
| BooleanOptionKey const | pocket_grid::pocket_restrict_size ("pocket_grid:pocket_restrict_size") |
| BooleanOptionKey const | pocket_grid::pocket_ignore_buried ("pocket_grid:pocket_ignore_buried") |
| BooleanOptionKey const | pocket_grid::pocket_only_buried ("pocket_grid:pocket_only_buried") |
| BooleanOptionKey const | pocket_grid::pocket_psp ("pocket_grid:pocket_psp") |
| BooleanOptionKey const | pocket_grid::pocket_sps ("pocket_grid:pocket_sps") |
| BooleanOptionKey const | pocket_grid::pocket_search13 ("pocket_grid:pocket_search13") |
| RealOptionKey const | pocket_grid::pocket_surface_score ("pocket_grid:pocket_surface_score") |
| RealOptionKey const | pocket_grid::pocket_surface_dist ("pocket_grid:pocket_surface_dist") |
| RealOptionKey const | pocket_grid::pocket_buried_score ("pocket_grid:pocket_buried_score") |
| RealOptionKey const | pocket_grid::pocket_buried_dist ("pocket_grid:pocket_buried_dist") |
| RealOptionKey const | pocket_grid::pocket_exemplar_vdw_pen ("pocket_grid:pocket_exemplar_vdw_pen") |
| BooleanOptionKey const | pocket_grid::pocket_debug_output ("pocket_grid:pocket_debug_output") |
| BooleanOptionKey const | pocket_grid::dump_pocketGrid ("pocket_grid:dump_pocketGrid") |
| BooleanOptionKey const | pocket_grid::dump_Grid ("pocket_grid:dump_Grid") |
| BooleanOptionKey const | pocket_grid::extend_eggshell ("pocket_grid:extend_eggshell") |
| RealOptionKey const | pocket_grid::extend_eggshell_dist ("pocket_grid:extend_eggshell_dist") |
| RealOptionKey const | pocket_grid::extra_eggshell_dist ("pocket_grid:extra_eggshell_dist") |
| RealOptionKey const | pocket_grid::eggshell_dist ("pocket_grid:eggshell_dist") |
| BooleanOptionKey const | pocket_grid::reduce_rays ("pocket_grid:reduce_rays") |
| BooleanOptionKey const | pocket_grid::pocket_static_grid ("pocket_grid:pocket_static_grid") |
| BooleanOptionKey const | pocket_grid::dump_espGrid ("pocket_grid:dump_espGrid") |
| BooleanOptionKey const | pocket_grid::dump_connollySurface ("pocket_grid:dump_connollySurface") |
| RealOptionKey const | pocket_grid::esp_buffer_dist ("pocket_grid:esp_buffer_dist") |
| BooleanOptionKey const | pocket_grid::round_pocketGrid_center ("pocket_grid:round_pocketGrid_center") |
| BooleanOptionKey const | gen_pharmacophore::gen_pharmacophore ("gen_pharmacophore") |
| RealOptionKey const | gen_pharmacophore::clash_distance_cutoff ("gen_pharmacophore:clash_distance_cutoff") |
| IntegerOptionKey const | gen_pharmacophore::ring_sasa_cutoff ("gen_pharmacophore:ring_sasa_cutoff") |
| IntegerOptionKey const | gen_pharmacophore::min_num_ring ("gen_pharmacophore:min_num_ring") |
| RealOptionKey const | gen_pharmacophore::ring_ring_dist_cutoff ("gen_pharmacophore:ring_ring_dist_cutoff") |
| RealOptionKey const | gen_pharmacophore::ring_atm_dist_cutoff ("gen_pharmacophore:ring_atm_dist_cutoff") |
| BooleanOptionKey const | fingerprint::fingerprint ("fingerprint") |
| BooleanOptionKey const | fingerprint::print_eggshell ("fingerprint:print_eggshell") |
| RealOptionKey const | fingerprint::atom_radius_scale ("fingerprint:atom_radius_scale") |
| RealOptionKey const | fingerprint::atom_radius_buffer ("fingerprint:atom_radius_buffer") |
| RealOptionKey const | fingerprint::packing_weight ("fingerprint:packing_weight") |
| RealOptionKey const | fingerprint::dist_cut_off ("fingerprint:dist_cut_off") |
| BooleanOptionKey const | fingerprint::include_extrashell_to_set_origin ("fingerprint:include_extrashell_to_set_origin") |
| BooleanOptionKey const | fingerprint::include_hydrogens ("fingerprint:include_hydrogens") |
| BooleanOptionKey const | fingerprint::multiple_origin ("fingerprint:multiple_origin") |
| BooleanOptionKey const | fingerprint::use_DARC_gpu ("fingerprint:use_DARC_gpu") |
| BooleanOptionKey const | fingerprint::square_score ("fingerprint:square_score") |
| BooleanOptionKey const | fingerprint::darc_components ("fingerprint:darc_components") |
| IntegerOptionKey const | fingerprint::set_origin ("fingerprint:set_origin") |
| StringOptionKey const | fingerprint::origin_res_num ("fingerprint:origin_res_num") |
1.9.1