Rosetta
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#include <core/scoring/rms_util.hh>
#include <core/chemical/rna/util.hh>
#include <core/scoring/constraints/ConstraintSet.hh>
#include <core/scoring/constraints/ConstraintIO.hh>
#include <core/sequence/Sequence.hh>
#include <core/sequence/util.hh>
#include <core/types.hh>
#include <core/chemical/AA.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/chemical/util.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/scoring/ScoringManager.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/kinematics/Jump.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/io/silent/SilentFileData.hh>
#include <core/io/silent/BinarySilentStruct.hh>
#include <core/io/silent/RNA_SilentStruct.hh>
#include <core/io/pose_stream/SilentFilePoseInputStream.hh>
#include <core/pack/pack_rotamers.hh>
#include <core/pack/rotamer_trials.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/options/option.hh>
#include <core/options/after_opts.hh>
#include <core/options/util.hh>
#include <core/options/option_macros.hh>
#include <protocols/idealize/idealize.hh>
#include <protocols/viewer/viewers.hh>
#include <protocols/rna/denovo/setup/RNA_DeNovoPoseInitializer.fwd.hh>
#include <protocols/rna/denovo/setup/RNA_DeNovoPoseInitializer.hh>
#include <protocols/rna/denovo/libraries/RNA_ChunkLibrary.hh>
#include <protocols/rna/denovo/libraries/RNA_ChunkLibrary.fwd.hh>
#include <protocols/rna/denovo/util.hh>
#include <protocols/rna/movers/RNA_HelixAssembler.hh>
#include <protocols/rna/movers/RNA_LoopCloser.hh>
#include <protocols/rna/denovo/movers/RNA_Minimizer.hh>
#include <core/optimization/AtomTreeMinimizer.hh>
#include <core/optimization/MinimizerOptions.hh>
#include <core/pose/Pose.hh>
#include <core/pose/util.hh>
#include <core/util/basic.hh>
#include <core/io/database/open.hh>
#include <devel/init.hh>
#include <core/io/pdb/pdb_writer.hh>
#include <utility/vector1.hh>
#include <utility/io/ozstream.hh>
#include <utility/io/izstream.hh>
#include <utility/exit.hh>
#include <numeric/xyzVector.hh>
#include <numeric/conversions.hh>
#include <ObjexxFCL/format.hh>
#include <ObjexxFCL/string.functions.hh>
#include <core/scoring/EnergyGraph.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/scoring/EnergyMap.fwd.hh>
#include <core/scoring/Energies.hh>
#include <fstream>
#include <iostream>
#include <string>
#include <core/util/Tracer.hh>
#include <core/options/keys/out.OptionKeys.gen.hh>
#include <core/options/keys/score.OptionKeys.gen.hh>
#include <core/options/keys/in.OptionKeys.gen.hh>
Typedefs | |
typedef numeric::xyzMatrix< Real > | Matrix |
Functions | |
void | rna_assemble_test () |
std::string | get_tag (utility::vector1< Size > const &chunk_numbers) |
void | score_and_minimize (pose::Pose &pose, pose::Pose const &native_pose, std::string const &tag, std::string const &silent_file, protocols::rna::denovo::RNA_ChunkLibrary const &) |
void | insert_chunk (pose::Pose &pose, protocols::rna::denovo::RNA_ChunkLibrary const &rna_chunk_library, Size const chunk_set_index, utility::vector1< Size > const &chunk_numbers_in, std::string const &silent_file, pose::Pose const &native_pose) |
void | rna_assemble_all_combinations_test () |
void | rna_build_helix_test_OLD () |
void | rna_build_helix_test_precompute () |
void * | my_main (void *) |
int | main (int argc, char *argv[]) |
typedef numeric::xyzMatrix< Real > Matrix |
std::string get_tag | ( | utility::vector1< Size > const & | chunk_numbers | ) |
References create_a3b_hbs::i, ObjexxFCL::string_of(), and tag.
Referenced by insert_chunk().
void insert_chunk | ( | pose::Pose & | pose, |
protocols::rna::denovo::RNA_ChunkLibrary const & | rna_chunk_library, | ||
Size const | chunk_set_index, | ||
utility::vector1< Size > const & | chunk_numbers_in, | ||
std::string const & | silent_file, | ||
pose::Pose const & | native_pose | ||
) |
References get_tag(), kmeans_adaptive_kernel_density_bb_dependent_rotlib::n, docking::native_pose, option, beta_nonlocal::pose, score_and_minimize(), and tag.
Referenced by rna_assemble_all_combinations_test().
int main | ( | int | argc, |
char * | argv[] | ||
) |
References argv, build_helix_test(), basic::options::OptionKeys::cluster::energy_based_clustering::cst_file, test.T009_Exceptions::e, basic::init(), basic::options::OptionKeys::dna::design::minimize, my_main(), NEW_OPT, basic::options::OptionKeys::flexPepDocking::params_file, beta_sc_scan::seq, and viewer_main().
void* my_main | ( | void * | ) |
void rna_assemble_all_combinations_test | ( | ) |
References basic::options::OptionKeys::constraints::constraints, basic::options::OptionKeys::cluster::energy_based_clustering::cst_file, basic::options::OptionKeys::rna::denovo::denovo, in::file::fasta(), basic::database::full_name(), insert_chunk(), basic::options::OptionKeys::rna::denovo::jump_library_file, in::file::native(), docking::native_pose, option, basic::options::OptionKeys::flexPepDocking::params_file, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, basic::options::OptionKeys::frags::scoring::scoring, basic::options::OptionKeys::in::file::silent, in::file::silent(), out::file::silent(), and basic::options::OptionKeys::inout::dbms::user.
Referenced by my_main().
void rna_assemble_test | ( | ) |
References basic::options::OptionKeys::constraints::constraints, basic::options::OptionKeys::cluster::energy_based_clustering::cst_file, basic::options::OptionKeys::rna::denovo::denovo, in::file::fasta(), basic::database::full_name(), basic::options::OptionKeys::rna::denovo::jump_library_file, kmeans_adaptive_kernel_density_bb_dependent_rotlib::n, option, basic::options::OptionKeys::flexPepDocking::params_file, beta_nonlocal::pose, docking::s, basic::options::OptionKeys::frags::scoring::scoring, beta_sc_scan::seq, basic::options::OptionKeys::in::file::silent, in::file::silent(), out::file::silent(), ObjexxFCL::string_of(), tag, basic::options::OptionKeys::inout::dbms::user, and utility_exit_with_message.
Referenced by my_main().
void rna_build_helix_test_OLD | ( | ) |
References basic::options::OptionKeys::chemical::chemical, basic::options::OptionKeys::rna::denovo::denovo, in::file::fasta(), ObjexxFCL::lead_zero_string_of(), kmeans_adaptive_kernel_density_bb_dependent_rotlib::n, local::nstruct, out::nstruct(), option, basic::options::OptionKeys::ddg::output_silent, beta_nonlocal::pose, docking::s, basic::options::OptionKeys::frags::scoring::scoring, beta_sc_scan::seq, basic::options::OptionKeys::in::file::silent, out::file::silent(), tag, basic::options::OptionKeys::inout::dbms::user, and utility_exit_with_message.
Referenced by my_main().
void rna_build_helix_test_precompute | ( | ) |
References basic::options::OptionKeys::chemical::chemical, utility::io::oc::cout, basic::options::OptionKeys::rna::denovo::denovo, create_a3b_hbs::f, in::file::fasta(), create_a3b_hbs::i, create_a3b_hbs::j, kmeans_adaptive_kernel_density_bb_dependent_rotlib::n, create_a3b_hbs::nres, option, lactamize::outfile, basic::options::OptionKeys::ddg::output_silent, beta_nonlocal::pose, test.Workshop8test::reference_pose, test.T200_Scoring::rsd1, test.T200_Scoring::rsd2, basic::options::OptionKeys::frags::scoring::scoring, beta_sc_scan::seq, basic::options::OptionKeys::recces::seq1, basic::options::OptionKeys::recces::seq2, basic::options::OptionKeys::in::file::silent, out::file::silent(), basic::options::OptionKeys::inout::dbms::user, and utility_exit_with_message.
Referenced by my_main().
void score_and_minimize | ( | pose::Pose & | pose, |
pose::Pose const & | native_pose, | ||
std::string const & | tag, | ||
std::string const & | silent_file, | ||
protocols::rna::denovo::RNA_ChunkLibrary const & | |||
) |
References pyrosetta::create_score_function, basic::options::OptionKeys::rna::denovo::lores_scorefxn, basic::options::OptionKeys::dna::design::minimize, docking::native_pose, option, beta_nonlocal::pose, average_rmsds::rmsd, docking::s, basic::options::OptionKeys::frags::scoring::scoring, basic::options::OptionKeys::in::file::silent, and tag.
Referenced by insert_chunk().