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RotamerLibrary.hh File Reference
#include <core/pack/dunbrack/RotamerLibrary.fwd.hh>
#include <core/pack/dunbrack/RotamerLibraryScratchSpace.fwd.hh>
#include <core/pack/dunbrack/DunbrackRotamer.fwd.hh>
#include <core/pack/dunbrack/SingleResidueDunbrackLibrary.fwd.hh>
#include <core/pack/rotamers/SingleResidueRotamerLibrary.fwd.hh>
#include <core/chemical/AA.hh>
#include <core/chemical/ResidueType.fwd.hh>
#include <core/conformation/Residue.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <utility/SingletonBase.hh>
#include <utility/io/ozstream.fwd.hh>
#include <utility/io/izstream.fwd.hh>
#include <utility/options/OptionCollection.fwd.hh>
#include <map>
#include <utility/vector1.hh>

Classes

struct  core::pack::dunbrack::DunbrackAAParameterSet
 A small structure to hold overview parameters about the Dunbrack Libraries. More...
 
class  core::pack::dunbrack::RotamerLibrary
 A class to manage the Dunbrack Rotamer Libraries. More...
 

Namespaces

 core
 A class for reading in the atom type properties.
 
 core::pack
 
 core::pack::dunbrack
 

Functions

void core::pack::dunbrack::rotamer_from_chi (conformation::Residue const &rsd, RotVector &rot)
 helper that'll determine the rotamer bins for a residue by asking its associated rotamer library for that information. More...
 
void core::pack::dunbrack::rotamer_from_chi (chemical::ResidueType const &rsd_type, ChiVector const &chi, RotVector &rot)
 helper that'll determine the rotamer bins for a residue_type by asking its associated rotamer library for that information. Takes chi vector as input parameter. More...
 
void core::pack::dunbrack::rotamer_from_chi_02 (ChiVector const &chi,chemical::AA const res,RotVector &rot)
 Do not bother calling this function if you're interested in staying up to date with changes in the rotamer library. Call rotamer_from_chi instead. It will eventually call this function iff dun10 is not set to true. More...
 
*void core::pack::dunbrack::rotamer_from_chi_02 (Real4 const &chi, chemical::AA const res, Size nchi, Size4 &rot)
 
Real core::pack::dunbrack::subtract_chi_angles (Real chi1, Real chi2, chemical::AA const &aa, int chino)
 Find the difference in angles between two chi values using hard-coded symmetry information for the symmetric amino acids. Disappears for 2010 library. More...