rna_predict_chem_map.cc File Reference

#include <core/types.hh>
#include <core/chemical/AA.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/VariantType.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/chemical/rna/util.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoringManager.hh>
#include <core/scoring/rna/data/RNA_DMS_Potential.hh>
#include <core/io/rna/RDAT.hh>
#include <devel/init.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/pose/util.hh>
#include <core/import_pose/import_pose.hh>
#include <protocols/rna/denovo/util.hh>
#include <protocols/viewer/viewers.hh>
#include <basic/options/option.hh>
#include <basic/options/option_macros.hh>
#include <basic/database/open.hh>
#include <utility/vector1.hh>
#include <utility/tools/make_vector1.hh>
#include <utility/io/ozstream.hh>
#include <utility/io/izstream.hh>
#include <utility/file/FileName.hh>
#include <ObjexxFCL/format.hh>
#include <ObjexxFCL/FArray1D.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <ObjexxFCL/string.functions.hh>
#include <fstream>
#include <iostream>
#include <string>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/chemical.OptionKeys.gen.hh>
#include <core/conformation/Conformation.hh>
#include <core/scoring/constraints/Constraint.hh>
#include <numeric/xyz.functions.hh>
#include <numeric/MathVector.hh>

Functions
void	get_max_and_intervals (std::set< Real > const &DMS_values, utility::vector1< Real > const &logL_values, Real &DMS_mean, Real &DMS_std, Real &DMS_maxL, Real &DMS_interval_low, Real &DMS_interval_high, Real const )
void	get_logL_DMS (pose::Pose &pose, vector1< vector1< Real > > &logL_values, std::set< Real > &DMS_values, vector1< Size > &probed_res)
void	predict_chem_map_test ()
void *	my_main (void *)
int	main (int argc, char *argv[])

Detailed Description

Author

Rhiju, rhiju.nosp@m.@sta.nosp@m.nford.nosp@m..edu

Function Documentation

void get_logL_DMS	(	pose::Pose &	pose,
		vector1< vector1< Real > > &	logL_values,
		std::set< Real > &	DMS_values,
		vector1< Size > &	probed_res
	)

References test.T150_PyMOL_Integration::i.

Referenced by predict_chem_map_test().

void get_max_and_intervals	(	std::set< Real > const &	DMS_values,
		utility::vector1< Real > const &	logL_values,
		Real &	DMS_mean,
		Real &	DMS_std,
		Real &	DMS_maxL,
		Real &	DMS_interval_low,
		Real &	DMS_interval_high,
		Real	const
	)

References debug_assert, and basic::options::OptionKeys::score::fiber_diffraction::p.

Referenced by predict_chem_map_test().

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

References utility::excn::Exception::display(), test.T009_Exceptions::e, devel::init(), my_main(), and options.

void* my_main

(

void *

)

References utility::options::OptionKeys::options::exit, and predict_chem_map_test().

Referenced by main().

void predict_chem_map_test

(

)

References ObjexxFCL::format::A(), basic::options::OptionKeys::chemical::chemical, utility::io::ozstream::close(), clean_pdb_keep_ligand::count, utility::io::oc::cout, ObjexxFCL::format::F(), erraser::file_path, get_logL_DMS(), get_max_and_intervals(), test.T110_numeric::I, test.T150_PyMOL_Integration::i, utility::tools::make_vector1(), option, options, in::path::pdb(), demo.D010_Pose_structure::pose, pyrosetta.distributed.io::pose_from_file, in::file::s(), and ObjexxFCL::string_of().

Referenced by my_main().