cl_complex_rescore.cc File Reference

#include <core/types.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/chemical/ResidueTypeSet.fwd.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/conformation/Conformation.hh>
#include <basic/options/option.hh>
#include <devel/init.hh>
#include <basic/Tracer.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <core/import_pose/import_pose.hh>
#include <core/pose/Pose.hh>
#include <core/import_pose/pose_stream/MetaPoseInputStream.hh>
#include <core/import_pose/pose_stream/util.hh>
#include <utility/io/ozstream.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <iostream>
#include <core/pose/chains_util.hh>
#include <core/pose/PDBInfo.hh>
#include <utility/string_util.hh>
#include <utility/io/izstream.hh>
#include <utility/file/FileName.hh>
#include <utility/vector1.hh>

Functions
void	read_in_cl_data (utility::vector1< std::pair< core::Size, std::pair< core::Real, utility::vector1< char > > > > &input_cl_data, std::string const &input_fil)
void	read_in_pdbs (utility::vector1< core::pose::PoseOP > &poses)
void	cl_score (utility::vector1< core::pose::PoseOP > const &poses, utility::vector1< std::pair< core::Size, std::pair< core::Real, utility::vector1< char > > > > const &input_cl_data, utility::vector1< std::pair< std::string, core::Real >> &model_penalties, utility::vector1< std::pair< std::string, core::Real >> &cl_scores, std::string const &partner1, std::string const &partner2)
void	output_results (utility::vector1< std::pair< std::string, core::Real >> const &model_penalties, utility::vector1< std::pair< std::string, core::Real >> const &cl_scores)
int	main (int argc, char *argv[])

Variables
static basic::Tracer	TR ("apps.pilot.zdrake.cl_complex_rescore")
basic::options::StringOptionKey const	interface ("interface")
basic::options::StringOptionKey const	input_file ("cl_file")

Function Documentation

cl_score()

void cl_score	(	utility::vector1< core::pose::PoseOP > const &	poses,
		utility::vector1< std::pair< core::Size, std::pair< core::Real, utility::vector1< char > > > > const &	input_cl_data,
		utility::vector1< std::pair< std::string, core::Real >> &	model_penalties,
		utility::vector1< std::pair< std::string, core::Real >> &	cl_scores,
		std::string const &	partner1,
		std::string const &	partner2
	)

References spectral_cluster_kmeans_adaptive_kernel_density_bb_dependent_rotlib::A, val2thr::atom, detail::find(), create_a3b_hbs::first, create_a3b_hbs::j, devel::metal_interface::partner1, devel::metal_interface::partner2, create_a3b_hbs::pdb_info, beta_nonlocal::pose, basic::options::OptionKeys::mp::assembly::poses, erraser_analysis::res1, and erraser_analysis::res2.

Referenced by main().

main()

int main	(	int	argc,
		char *	argv[]
	)

References utility::options::OptionCollection::add(), argv, cl_score(), utility::options::ScalarOption_T_< K, T >::def(), test.T009_Exceptions::e, basic::init(), input_file, interface, basic::options::OptionKeys::intf::intf, basic::options::option, output_results(), basic::options::OptionKeys::mp::assembly::poses, read_in_cl_data(), read_in_pdbs(), basic::options::OptionKeys::frags::scoring::scoring, utility::string_split(), basic::options::TR, utility_exit_with_message, and value.

output_results()

void output_results	(	utility::vector1< std::pair< std::string, core::Real >> const &	model_penalties,
		utility::vector1< std::pair< std::string, core::Real >> const &	cl_scores
	)

References create_a3b_hbs::i, basic::options::OptionKeys::out::file::o, basic::options::option, lactamize::outfile, and basic::options::OptionKeys::inout::dbms::user.

Referenced by main().

read_in_cl_data()

void read_in_cl_data	(	utility::vector1< std::pair< core::Size, std::pair< core::Real, utility::vector1< char > > > > &	input_cl_data,
		std::string const &	input_fil
	)

References chains, getline(), gaussian-sampling::input, line, pna::resi, runtime_assert_string_msg, challenge::ss, and utility_exit_with_message.

Referenced by main().

read_in_pdbs()

void read_in_pdbs

(

utility::vector1< core::pose::PoseOP > &

poses

)

References gaussian-sampling::input, basic::options::OptionKeys::mp::assembly::poses, and basic::options::TR.

Referenced by main().

Variable Documentation

input_file

basic::options::StringOptionKey const input_file("cl_file")

(

"cl_file"

)

Referenced by dna_stats(), main(), and NativeEnsemble::write_schema_to_db().

interface

basic::options::StringOptionKey const interface("interface")

(

"interface"

)

Referenced by main().

TR

basic::Tracer TR("apps.pilot.zdrake.cl_complex_rescore") ( "apps.pilot.zdrake.cl_complex_rescore"  )

static