RNA_ChemicalShiftPotential.cc File Reference

The real workhorse behind RNA_ChemicalShiftEnergy.cc. More...

#include <core/scoring/rna/chemical_shift/RNA_ChemicalShiftPotential.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/Atom.hh>
#include <core/id/AtomID.hh>
#include <basic/Tracer.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>
#include <utility/file/file_sys_util.hh>
#include <utility/io/izstream.hh>
#include <ObjexxFCL/format.hh>
#include <core/scoring/rna/chemical_shift/RNA_CS_Util.hh>
#include <core/scoring/rna/chemical_shift/RNA_CS_RingCurrent.hh>
#include <core/scoring/rna/chemical_shift/RNA_CS_MagneticAnisotropy.hh>
#include <math.h>
#include <numeric/xyzVector.hh>
#include <core/chemical/rna/RNA_Util.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/EnergyMap.hh>

Namespaces
	core
	A class for defining atom parameters, known as atom_types.
	core::scoring
	core::scoring::rna
	core::scoring::rna::chemical_shift

Functions
chemical::AA	core::scoring::rna::chemical_shift::get_res_aa_from_BASE_name (std::string BASE_name, std::string const text_line)
std::string	core::scoring::rna::chemical_shift::remove_whitespaces (std::string const in_atom_name)
bool	core::scoring::rna::chemical_shift::is_polar_hydrogen (std::string const input_atom_name)
std::string	core::scoring::rna::chemical_shift::get_rosetta_hatom_name (std::string const input_atom_name, std::string const text_line, utility::vector1< std::string > const &flat_proton_entry_list)
void	core::scoring::rna::chemical_shift::print_chemical_shift_data (std::string prestring, ChemicalShiftData const &CS_data, bool const print_data_line)
core::Size	core::scoring::rna::chemical_shift::string_to_int (std::string const input_string)
core::Real	core::scoring::rna::chemical_shift::string_to_real (std::string const input_string)
bool	core::scoring::rna::chemical_shift::Contain_seq_num (Size const &seq_num, utility::vector1< core::Size > const &residue_list)
utility::vector1 < ChemicalShiftData >	core::scoring::rna::chemical_shift::filter_chem_shift_data_list (utility::vector1< ChemicalShiftData > const &flat_EXP_chem_shift_data_list, core::Size const seq_num, utility::vector1< std::string > const &proton_entry)

Variables
static basic::Tracer	TR ("core.scoring.rna.chemical_shift.RNA_ChemicalShiftPotential")

Detailed Description

The real workhorse behind RNA_ChemicalShiftEnergy.cc.

Author

Parin Sripakdeevong (sripa.nosp@m.kpa@.nosp@m.stanf.nosp@m.ord..nosp@m.edu)

Variable Documentation

basic::Tracer TR("core.scoring.rna.chemical_shift.RNA_ChemicalShiftPotential")

static