Rosetta
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#include <core/pose/util.hh>
#include <core/types.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/inout.OptionKeys.gen.hh>
#include <basic/options/option.hh>
#include <basic/database/sql_utils.hh>
#include <basic/Tracer.hh>
#include <devel/init.hh>
#include <core/import_pose/import_pose.hh>
#include <core/util/SwitchResidueTypeSet.hh>
#include <utility/sql_database/DatabaseSessionManager.hh>
#include <utility/string_util.hh>
#include <utility/io/izstream.hh>
#include <utility/vector1.hh>
#include <protocols/features/ProteinSilentReport.hh>
#include <protocols/sewing/hashing/Hasher.hh>
#include <core/scoring/rms_util.hh>
#include <map>
Namespaces | |
SmotifHasher | |
Functions | |
std::map< core::Size, utility::vector1< protocols::sewing::ResidueHash > > | get_models (utility::sql_database::sessionOP db_session) |
void | trim_pdb (core::pose::Pose &pose, std::set< core::Size > const &residue_numbers) |
void | superimpose_smotifs (utility::sql_database::sessionOP db_session, std::map< std::pair< protocols::sewing::HashValue, protocols::sewing::HashValue >, core::Size > const &scores, core::Size score_cutoff) |
int | main (int argc, char *argv[]) |
Variables | |
static basic::Tracer | TR ("SmotifHasher") |
basic::options::IntegerOptionKey const | SmotifHasher::num_bundles ("num_bundles") |
basic::options::IntegerOptionKey const | SmotifHasher::mode ("mode") |
basic::options::IntegerOptionKey const | SmotifHasher::query_id ("query_id") |
basic::options::IntegerOptionKey const | SmotifHasher::min_score ("min_score") |
std::map< core::Size, utility::vector1<protocols::sewing::ResidueHash> > get_models | ( | utility::sql_database::sessionOP | db_session | ) |
References val2thr::atom, runtime_assert, basic::database::safely_prepare_statement(), basic::database::safely_read_from_database(), TR, x, predPRE::y, and predPRE::z.
Referenced by main().
int main | ( | int | argc, |
char * | argv[] | ||
) |
References utility::options::OptionCollection::add(), argv, demo.D060_Folding::counter, basic::database::get_db_session(), get_models(), basic::init(), SmotifHasher::min_score, SmotifHasher::mode, closure_error::models, basic::options::option, SmotifHasher::query_id, legacy_score_vs_rmsd::scores, superimpose_smotifs(), basic::options::TR, and utility_exit_with_message.
void superimpose_smotifs | ( | utility::sql_database::sessionOP | db_session, |
std::map< std::pair< protocols::sewing::HashValue, protocols::sewing::HashValue >, core::Size > const & | scores, | ||
core::Size | score_cutoff | ||
) |
References cache_trajectory::query, basic::database::safely_prepare_statement(), basic::database::safely_read_from_database(), basic::options::OptionKeys::ddg::score_cutoff, legacy_score_vs_rmsd::scores, basic::options::OptionKeys::sewing::sewing, superimpose_pose(), utility::to_string(), TR, and trim_pdb().
Referenced by main().
void trim_pdb | ( | core::pose::Pose & | pose, |
std::set< core::Size > const & | residue_numbers | ||
) |
References create_a3b_hbs::i, beta_nonlocal::pose, and rna_decompose::total_res.
Referenced by superimpose_smotifs().
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static |
Referenced by get_models(), and superimpose_smotifs().