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Functions
Translator.cc File Reference
#include <core/coarse/Translator.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/pack/dunbrack/RotamerLibrary.hh>
#include <core/pack/dunbrack/DunbrackRotamer.hh>
#include <core/pack/dunbrack/CoarseRotamer.hh>
#include <ObjexxFCL/string.functions.hh>
#include <core/conformation/Residue.hh>
#include <core/id/DOF_ID.hh>
#include <numeric/NumericTraits.hh>

Functions

std::string strip_whitespace (std::string const &name)
 must be a better place for this, already exists in ResidueType.cc! More...
 
bool match_mask (RotVector const &mask, int nchi, DunbrackRotamer< FOUR, Real > const &rotamer)
 
bool update_mask (RotVector &mask, int nchi, RotVector const &max_bins)
 
pose::PoseOP create_rotamer (Translator const &map, ResidueTypeCOP fine_res_type, DunbrackRotamer< FOUR, Real > const &rotamer)
 
int find_most_frequent_rotamer (utility::vector1< DunbrackRotamer< FOUR > > const &fine_rotamers, RotVector const &mask, Size nchi, Real &pnew)
 
void coarse_rotamer (Translator const &map, ResidueTypeCOP fine_res_type, ResidueTypeCOP coarse_res_type, DunbrackRotamer< FOUR, Real > const &rotamer, Size nchi, ChiVector &chi, AngleVector &angle)
 
void average_rotamers (Translator const &map, ResidueTypeCOP fine_res_type, ResidueTypeCOP coarse_res_type, utility::vector1< DunbrackRotamer< FOUR > > const &fine_rotamers, RotVector const &mask, Size nchi, ChiVector &chi_mean, ChiVector &chi_std, AngleVector &angle_mean, AngleVector &angle_std)
 
Real sqr (Real x)
 
Real sqr3 (Real x)
 

Function Documentation

void average_rotamers ( Translator const &  map,
ResidueTypeCOP  fine_res_type,
ResidueTypeCOP  coarse_res_type,
utility::vector1< DunbrackRotamer< FOUR > > const &  fine_rotamers,
RotVector const &  mask,
Size  nchi,
ChiVector &  chi_mean,
ChiVector &  chi_std,
AngleVector &  angle_mean,
AngleVector &  angle_std 
)
void coarse_rotamer ( Translator const &  map,
ResidueTypeCOP  fine_res_type,
ResidueTypeCOP  coarse_res_type,
DunbrackRotamer< FOUR, Real > const &  rotamer,
Size  nchi,
ChiVector &  chi,
AngleVector &  angle 
)

References create_rotamer(), and core::id::THETA.

Referenced by average_rotamers().

pose::PoseOP create_rotamer ( Translator const &  map,
ResidueTypeCOP  fine_res_type,
DunbrackRotamer< FOUR, Real > const &  rotamer 
)
int find_most_frequent_rotamer ( utility::vector1< DunbrackRotamer< FOUR > > const &  fine_rotamers,
RotVector const &  mask,
Size  nchi,
Real pnew 
)
bool match_mask ( RotVector const &  mask,
int  nchi,
DunbrackRotamer< FOUR, Real > const &  rotamer 
)
Real sqr ( Real  x)
inline

Referenced by average_rotamers().

Real sqr3 ( Real  x)
inline

Referenced by average_rotamers().

std::string strip_whitespace ( std::string const &  name)
inline
bool update_mask ( RotVector &  mask,
int  nchi,
RotVector const &  max_bins 
)