Rosetta
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Classes | |
struct | pre_talaris_2013_behavior_settings |
Functions | |
static basic::Tracer | TR ("core.init") |
void | init_mpi (int, char **) |
void | init_options (int argc, char *argv[]) |
Initialize the option system, which manages command line options. More... | |
void | init_crash_reporter (int argc, char *argv[]) |
Setup crash reporter. More... | |
void | init_complex_options () |
After the tracers have been initialized, now go back and modify some of the values in the options system based on (hard coded) inter-flag relationships. Some of these relationships are set in the basic::options::process() function, some of them are handled in this .cc file. More... | |
void | init_tracers () |
Tracers control output to std::cout and std::cerr. More... | |
void | init_source_revision () |
Choose to output source version control information? More... | |
void | init_paths () |
Setup basic search paths. More... | |
void | check_deprecated_flags () |
Check for deprecated flags specified by the user and output error messages if necessary. More... | |
void | report_application_command (int argc, char *argv[]) |
Describe the application execution command. More... | |
void | random_delay () |
Choose to randomly delay execution to desyncronize parallel execution. More... | |
void | locate_rosetta_database () |
Locate rosetta_database. More... | |
void | check_load_fconfig () |
Check if common config file exists and load it/them as flags files. More... | |
void | init_profiling () |
Profiling measures execution performance. More... | |
void | init_resources () |
Set up system resources. More... | |
void | init (int argc, char *argv[]) |
Init basic core systems: options system, random system. More... | |
void | init (utility::vector1< std::string > const &args) |
wrapper for core system Init More... | |
void | init_mpi (int argc, char *argv[]) |
Initialize MPI (message passing interface) for parallel applications. More... | |
static basic::Tracer | TR ("core.init.score_function_corrections") |
void | init_score_function_corrections (utility::options::OptionCollection &options) |
Initialize the latest and greatest score function parameters. More... | |
void | init_revert_to_pre_talaris_2013_mistake (utility::options::OptionCollection &options) |
Initialize the "revert to before Talaris2013" mistake. More... | |
void | revert_to_pre_talaris_2013_defaults (utility::options::OptionCollection &options) |
Reset a set of flags to their pre-talaris behavior. More... | |
void | init_pre_beta_nov15_etable (utility::options::OptionCollection &options) |
Initialize the -pre_beta_nov15 etable. More... | |
void | init_revert_to_talaris (utility::options::OptionCollection &options) |
Initialize the revert-to-Talaris2014. More... | |
void | init_hbond_sp2_correction (utility::options::OptionCollection &options) |
Initialize the hbond Sp2 correction Deprecated as Talaris2013 becomes default. More... | |
void | init_facts_correction (utility::options::OptionCollection &options) |
Initialize the FACTS correction. More... | |
void | init_correct_correction (utility::options::OptionCollection &options) |
Initialize the -correct correction. More... | |
void | init_shapovalov_lib_fixes_enable_correction (utility::options::OptionCollection &options) |
Initialize the -shapovalov_lib_fixes_enable correction. More... | |
void | init_crystal_refinement_correction (utility::options::OptionCollection &options) |
Initialize the crystal refinement correction. More... | |
void | init_beta_correction (utility::options::OptionCollection &options) |
Initialize the most recent beta score function (-beta) More... | |
void | init_beta_july15_correction (utility::options::OptionCollection &options) |
Initialize the -beta_july15 score function. More... | |
void | init_beta_nov16_correction (utility::options::OptionCollection &options, bool setweight=true) |
Initialize the -beta_nov16 score function. More... | |
void | init_nonideal_correction (utility::options::OptionCollection &options) |
Initialize nonideal bond geometry correction. More... | |
void | init_restore_score12prime (utility::options::OptionCollection &options) |
restore the the score function to the Score12prime version More... | |
void | init_spades_score_function_correction (utility::options::OptionCollection &options) |
Alter the water/water and water/non-water solvation potential if the score:water_hybrid_sf flag is on the command line. More... | |
void | init_gen_potential_settings (utility::options::OptionCollection &options) |
Initialize new atom types for Rosetta generic potential. More... | |
void | init_dna_correction (utility::options::OptionCollection &options) |
Apply some DNA-specific mods that are still in testing phase; only if -corrections::newdna present. More... | |
void core::init::check_deprecated_flags | ( | ) |
Check for deprecated flags specified by the user and output error messages if necessary.
Check for deprecated flags and utility exit if any deprecated flags are detected.
@detail If you deprecate a long standing flag, add a line to this function to describe what the deprecated flag has been replaced with. If the user specifies one of these flags, Rosetta will utility exit with a helpful message directing the user towards the new functionality
References TR().
Referenced by init().
void core::init::check_load_fconfig | ( | ) |
void core::init::init | ( | int | argc, |
char * | argv[] | ||
) |
Init basic core systems: options system, random system.
References check_deprecated_flags(), check_load_fconfig(), protocols::init::init(), init_complex_options(), init_crash_reporter(), init_mpi(), init_options(), init_paths(), init_profiling(), init_resources(), init_score_function_corrections(), init_source_revision(), init_tracers(), core::chemical::bcl::initialize_bcl_main(), core::chemical::bcl::initialize_bcl_random(), core::id::initialize_core_id_globals(), core::chemical::rdkit::initialize_rdkit_random(), core::chemical::bcl::locate_bcl(), locate_rosetta_database(), random_delay(), report_application_command(), core::chemical::bcl::require_bcl(), and TR().
Referenced by protocols::canonical_sampling::CanonicalSamplingMover::apply(), protocols::hybridization::BackboneTorsionPerturbation::BackboneTorsionPerturbation(), protocols::protein_interface_design::movers::BestHotspotCstMover::BestHotspotCstMover(), protocols::indexed_structure_store::search::bind_QueryDatabase(), protocols::md::CartesianMD::CartesianMD(), protocols::hybridization::CartesianSampler::CartesianSampler(), protocols::toolbox::KCluster::cluster(), protocols::LoopRebuild::desired_loops(), protocols::rpc::BasicCmdLineInit::do_init(), protocols::docking::DockingProtocol::DockingProtocol(), core::scoring::electron_density::ElectronDensity::ElectronDensity(), protocols::simple_filters::EnergyPerResidueFilter::EnergyPerResidueFilter(), protocols::enzdes::EnzScoreFilter::EnzScoreFilter(), core::scoring::fiber_diffraction::FiberDiffraction::FiberDiffraction(), protocols::magnesium::SampleGrid::figure_out_box_bounds(), protocols::hybridization::FragmentBiasAssigner::FragmentBiasAssigner(), protocols::LoopRebuild::get_ccd_closure_exist(), protocols::LoopRebuild::get_chain_break_tolerance(), protocols::LoopRebuild::get_combine_if_fail_exist(), protocols::LoopRebuild::get_desired_loops_exist(), core::pose::rna::get_leontis_westhof_table(), protocols::LoopRebuild::get_loop_combine_rate(), protocols::LoopRebuild::get_looprlx_cycle_ratio(), protocols::magnesium::get_octahedral_uniform_rotation_sampler(), protocols::LoopRebuild::get_rmsd_tolerance(), protocols::LoopRebuild::get_score_filter_cutoff(), protocols::magnesium::get_water_uniform_rotation_sampler(), protocols::loophash::MPI_LoopHashRefine_Emperor::go(), protocols::loophash::MPI_LoopHashRefine_Master::go(), protocols::mpi_refinement::MPI_Refine_Emperor::go(), protocols::mpi_refinement::MPI_Refine_Master::go(), protocols::hybridization::HybridizeProtocol::HybridizeProtocol(), protocols::magnesium::MgHydrater::hydrate_magnesium_in_pose(), protocols::init::init(), init(), core::pose::xyzStripeHashPose::init_posehash(), protocols::sic_dock::xyzStripeHashPoseWithMeta::init_with_pose(), protocols::stepwise::monte_carlo::mover::initialize_attachment_type_name(), core::pose::full_model_info::initialize_full_model_parameter_type_name(), protocols::stepwise::monte_carlo::mover::initialize_move_type_name(), core::scoring::sasa::input_legrand_sasa_dats(), core::scoring::packstat::old::input_sasa_dats(), core::scoring::input_sasa_dats(), protocols::hybridization::InsertChunkMover::InsertChunkMover(), protocols::simple_filters::InterfaceHbondsFilter::InterfaceHbondsFilter(), protocols::protein_interface_design::filters::InterfaceHolesFilter::InterfaceHolesFilter(), protocols::simple_filters::InterfaceHydrophobicResidueContactsFilter::InterfaceHydrophobicResidueContactsFilter(), core::import_pose::is_blank_seq(), protocols::enzdes::LigInterfaceEnergyFilter::LigInterfaceEnergyFilter(), protocols::LoopRebuild::loop_model(), core::pose::PDBInfo::PDBInfo(), protocols::cyclic_peptide::PeptideStubMover::PeptideStubMover(), core::fragment::rna::FullAtomRNA_Fragments::read_vall_torsions(), core::io::silent::SilentStruct::rename_energies(), protocols::simple_filters::ResidueIEFilter::ResidueIEFilter(), protocols::simple_filters::ResiduesInInterfaceFilter::ResiduesInInterfaceFilter(), protocols::protein_interface_design::Revert::Revert(), protocols::simple_moves::ShakeStructureMover::run_mc(), protocols::symmetry::SymShakeStructureMover::run_mc(), protocols::mpi_refinement::Serial_Refine::Serial_Refine(), protocols::simple_moves::ShakeStructureMover::set_temp_based_on_ens_diversity(), protocols::score_filters::ScoreCutoffFilter::set_unweighted(), protocols::protein_interface_design::movers::SetupHotspotConstraintsLoopsMover::SetupHotspotConstraintsLoopsMover(), protocols::protein_interface_design::movers::SetupHotspotConstraintsMover::SetupHotspotConstraintsMover(), protocols::LoopRebuild::shorten_long_terminal_loop(), protocols::sparta::Sparta::SpartaLib::SpartaLib(), protocols::moves::to_string(), and protocols::stepwise::modeler::rna::phosphate::to_string().
void core::init::init | ( | utility::vector1< std::string > const & | args | ) |
wrapper for core system Init
References init().
void core::init::init_beta_correction | ( | utility::options::OptionCollection & | options | ) |
Initialize the most recent beta score function (-beta)
References init_beta_july15_correction(), init_beta_nov16_correction(), and init_gen_potential_settings().
Referenced by init_score_function_corrections().
void core::init::init_beta_july15_correction | ( | utility::options::OptionCollection & | options | ) |
void core::init::init_beta_nov16_correction | ( | utility::options::OptionCollection & | options, |
bool | setweight | ||
) |
void core::init::init_complex_options | ( | ) |
After the tracers have been initialized, now go back and modify some of the values in the options system based on (hard coded) inter-flag relationships. Some of these relationships are set in the basic::options::process() function, some of them are handled in this .cc file.
Referenced by init().
void core::init::init_correct_correction | ( | utility::options::OptionCollection & | options | ) |
Initialize the -correct correction.
References core::scoring::p_aa_pp.
Referenced by init_score_function_corrections().
void core::init::init_crash_reporter | ( | int | argc, |
char * | argv[] | ||
) |
Setup crash reporter.
Referenced by init().
void core::init::init_crystal_refinement_correction | ( | utility::options::OptionCollection & | options | ) |
Initialize the crystal refinement correction.
Referenced by init_score_function_corrections().
void core::init::init_dna_correction | ( | utility::options::OptionCollection & | options | ) |
Apply some DNA-specific mods that are still in testing phase; only if -corrections::newdna present.
Referenced by init_score_function_corrections().
void core::init::init_facts_correction | ( | utility::options::OptionCollection & | options | ) |
Initialize the FACTS correction.
Referenced by init_score_function_corrections().
void core::init::init_gen_potential_settings | ( | utility::options::OptionCollection & | options | ) |
Initialize new atom types for Rosetta generic potential.
References TR().
Referenced by init_beta_correction().
void core::init::init_hbond_sp2_correction | ( | utility::options::OptionCollection & | options | ) |
Initialize the hbond Sp2 correction Deprecated as Talaris2013 becomes default.
References TR().
Referenced by init_score_function_corrections().
void core::init::init_mpi | ( | int | argc, |
char * | argv[] | ||
) |
Initialize MPI (message passing interface) for parallel applications.
void core::init::init_mpi | ( | int | , |
char ** | |||
) |
Referenced by init().
void core::init::init_nonideal_correction | ( | utility::options::OptionCollection & | options | ) |
Initialize nonideal bond geometry correction.
References protocols::antibody::design::dualspace, core::scoring::get_score_function(), and TR().
Referenced by init_score_function_corrections().
void core::init::init_options | ( | int | argc, |
char * | argv[] | ||
) |
Initialize the option system, which manages command line options.
Referenced by init().
void core::init::init_paths | ( | ) |
void core::init::init_pre_beta_nov15_etable | ( | utility::options::OptionCollection & | options | ) |
Initialize the -pre_beta_nov15 etable.
Referenced by init_score_function_corrections().
void core::init::init_profiling | ( | ) |
Profiling measures execution performance.
Referenced by init().
void core::init::init_resources | ( | ) |
void core::init::init_restore_score12prime | ( | utility::options::OptionCollection & | options | ) |
restore the the score function to the Score12prime version
References revert_to_pre_talaris_2013_defaults().
void core::init::init_revert_to_pre_talaris_2013_mistake | ( | utility::options::OptionCollection & | options | ) |
Initialize the "revert to before Talaris2013" mistake.
References revert_to_pre_talaris_2013_defaults().
Referenced by init_score_function_corrections().
void core::init::init_revert_to_talaris | ( | utility::options::OptionCollection & | options | ) |
Initialize the revert-to-Talaris2014.
References TR().
Referenced by init_score_function_corrections().
void core::init::init_score_function_corrections | ( | utility::options::OptionCollection & | options | ) |
Initialize the latest and greatest score function parameters.
References init_beta_correction(), init_correct_correction(), init_crystal_refinement_correction(), init_dna_correction(), init_facts_correction(), init_hbond_sp2_correction(), init_nonideal_correction(), init_pre_beta_nov15_etable(), init_revert_to_pre_talaris_2013_mistake(), init_revert_to_talaris(), init_shapovalov_lib_fixes_enable_correction(), and init_spades_score_function_correction().
Referenced by init().
void core::init::init_shapovalov_lib_fixes_enable_correction | ( | utility::options::OptionCollection & | options | ) |
Initialize the -shapovalov_lib_fixes_enable correction.
Referenced by init_score_function_corrections().
void core::init::init_source_revision | ( | ) |
void core::init::init_spades_score_function_correction | ( | utility::options::OptionCollection & | options | ) |
Alter the water/water and water/non-water solvation potential if the score:water_hybrid_sf flag is on the command line.
References TR().
Referenced by init_score_function_corrections().
void core::init::init_tracers | ( | ) |
Tracers control output to std::cout and std::cerr.
References core::chemical::bcl::initialize_bcl_tracers(), core::chemical::rdkit::initialize_rdkit_tracers(), and protocols::wum::mpi_rank().
Referenced by init().
void core::init::locate_rosetta_database | ( | ) |
void core::init::random_delay | ( | ) |
void core::init::report_application_command | ( | int | argc, |
char * | argv[] | ||
) |
void core::init::revert_to_pre_talaris_2013_defaults | ( | utility::options::OptionCollection & | options | ) |
Reset a set of flags to their pre-talaris behavior.
References core::init::pre_talaris_2013_behavior_settings::analytic_etable_evaluation, core::init::pre_talaris_2013_behavior_settings::dun10, core::init::pre_talaris_2013_behavior_settings::elec_min_dis, core::init::pre_talaris_2013_behavior_settings::expand_st_chi2sampling, core::init::pre_talaris_2013_behavior_settings::hb_fade_energy, core::init::pre_talaris_2013_behavior_settings::hb_sp2_chipen, core::init::pre_talaris_2013_behavior_settings::hb_sp2_outer_width, core::init::pre_talaris_2013_behavior_settings::hbond_measure_sp3acc_BAH_from_hvy, core::init::pre_talaris_2013_behavior_settings::hbond_params, core::init::pre_talaris_2013_behavior_settings::lj_hbond_hdis, core::init::pre_talaris_2013_behavior_settings::lj_hbond_OH_donor_dis, core::init::pre_talaris_2013_behavior_settings::pre_talaris2013_geometries, restore_sc12_settings, core::init::pre_talaris_2013_behavior_settings::score_patch, core::init::pre_talaris_2013_behavior_settings::score_weights, core::init::pre_talaris_2013_behavior_settings::smooth_fa_elec, and core::init::pre_talaris_2013_behavior_settings::use_bicubic_interpolation.
Referenced by init_restore_score12prime(), and init_revert_to_pre_talaris_2013_mistake().
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Referenced by check_deprecated_flags(), check_load_fconfig(), init(), init_beta_july15_correction(), init_beta_nov16_correction(), init_gen_potential_settings(), init_hbond_sp2_correction(), init_nonideal_correction(), init_revert_to_talaris(), init_source_revision(), init_spades_score_function_correction(), locate_rosetta_database(), random_delay(), and report_application_command().
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pre_talaris_2013_behavior_settings const core::init::restore_sc12_settings |
Referenced by revert_to_pre_talaris_2013_defaults().
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