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Rosetta
2019.47
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#include <basic/options/option.hh>
#include <devel/init.hh>
#include <basic/Tracer.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <utility/io/izstream.hh>
#include <core/import_pose/import_pose.hh>
#include <core/pose/util.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/Energies.hh>
#include <core/import_pose/pose_stream/MetaPoseInputStream.hh>
#include <core/import_pose/pose_stream/util.hh>
#include <core/scoring/ScoreType.hh>
#include <utility/io/ozstream.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/corrections.OptionKeys.gen.hh>
Functions | |
void | check_pose_size (core::Size num_res_current, core::Size num_res) |
void | check_single_chain (const core::pose::PoseOP &mypose) |
void | check_sequence (const core::pose::PoseOP &pose, const core::pose::PoseOP &pose_current) |
void | check_number_of_poses (core::Size n_poses) |
void | check_score_function (core::scoring::ScoreFunctionOP sfxn) |
void | read_in_pdbs (utility::vector1< core::pose::PoseOP > &poses, core::Size &n_poses, core::Size &num_res) |
void | calculate_average_residue_scores (const utility::vector1< core::pose::PoseOP > &poses, utility::vector1< core::Real > &average_res_scores, std::string &sequence, core::Size num_res, core::Size n_poses) |
void | caculate_order_scores (utility::vector1< core::Real > &ORDER_RES_Score, const utility::vector1< core::Real > &average_res_scores, core::Size num_res) |
void | predict_disorder (utility::vector1< std::string > &PREDICTION, const utility::vector1< core::Real > &ORDER_RES_Score, const std::string &sequence, core::Size num_res, const utility::vector1< core::Real > &cutoffs, bool terminal) |
core::Real | calculate_percent_disorder (const utility::vector1< std::string > &PREDICTION, core::Size num_res) |
void | do_terminal_opt (utility::vector1< core::Real > &cutoffs_new, core::Size num_res) |
void | output_results (core::Size num_res, const std::string &sequence, const utility::vector1< std::string > &PREDICTION, const utility::vector1< core::Real > &ORDER_RES_Score, utility::vector1< core::Real > average_res_scores) |
int | main (int argc, char *argv[]) |
Variables | |
static basic::Tracer | TR ("apps.public.analysis.ResidueDisorder") |
void caculate_order_scores | ( | utility::vector1< core::Real > & | ORDER_RES_Score, |
const utility::vector1< core::Real > & | average_res_scores, | ||
core::Size | num_res | ||
) |
References basic::options::OptionKeys::frags::j.
Referenced by main().
void calculate_average_residue_scores | ( | const utility::vector1< core::pose::PoseOP > & | poses, |
utility::vector1< core::Real > & | average_res_scores, | ||
std::string & | sequence, | ||
core::Size | num_res, | ||
core::Size | n_poses | ||
) |
References check_score_function(), check_sequence(), basic::options::OptionKeys::frags::j, erraser_single_res_analysis::score, test.T120_core::sfxn, and TR.
Referenced by main().
core::Real calculate_percent_disorder | ( | const utility::vector1< std::string > & | PREDICTION, |
core::Size | num_res | ||
) |
References clean_pdb_keep_ligand::count, and TR.
Referenced by main().
void check_number_of_poses | ( | core::Size | n_poses | ) |
References TR, and basic::Tracer::Warning.
Referenced by read_in_pdbs().
void check_pose_size | ( | core::Size | num_res_current, |
core::Size | num_res | ||
) |
References utility_exit_with_message.
Referenced by read_in_pdbs().
void check_score_function | ( | core::scoring::ScoreFunctionOP | sfxn | ) |
References TR, and basic::Tracer::Warning.
Referenced by calculate_average_residue_scores().
void check_sequence | ( | const core::pose::PoseOP & | pose, |
const core::pose::PoseOP & | pose_current | ||
) |
References utility_exit_with_message.
Referenced by calculate_average_residue_scores().
void check_single_chain | ( | const core::pose::PoseOP & | mypose | ) |
References utility_exit_with_message.
Referenced by read_in_pdbs().
void do_terminal_opt | ( | utility::vector1< core::Real > & | cutoffs_new, |
core::Size | num_res | ||
) |
Referenced by main().
References caculate_order_scores(), calculate_average_residue_scores(), calculate_percent_disorder(), utility::excn::Exception::display(), do_terminal_opt(), test.T009_Exceptions::e, devel::init(), options, output_results(), basic::options::OptionKeys::mp::assembly::poses, predict_disorder(), read_in_pdbs(), basic::options::OptionKeys::frags::scoring::scoring, basic::options::OptionKeys::relax::sequence, and basic::options::TR.
void output_results | ( | core::Size | num_res, |
const std::string & | sequence, | ||
const utility::vector1< std::string > & | PREDICTION, | ||
const utility::vector1< core::Real > & | ORDER_RES_Score, | ||
utility::vector1< core::Real > | average_res_scores | ||
) |
void predict_disorder | ( | utility::vector1< std::string > & | PREDICTION, |
const utility::vector1< core::Real > & | ORDER_RES_Score, | ||
const std::string & | sequence, | ||
core::Size | num_res, | ||
const utility::vector1< core::Real > & | cutoffs, | ||
bool | terminal | ||
) |
void read_in_pdbs | ( | utility::vector1< core::pose::PoseOP > & | poses, |
core::Size & | n_poses, | ||
core::Size & | num_res | ||
) |
References check_number_of_poses(), check_pose_size(), and check_single_chain().
Referenced by main().
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