RotamerLibrary.hh File Reference

Rotamer Library classes and utility functions. More...

#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/dunbrack/SingleResidueRotamerLibrary.fwd.hh>
#include <core/pack/dunbrack/SemiRotamericSingleResidueDunbrackLibrary.fwd.hh>
#include <core/chemical/AA.hh>
#include <core/chemical/ResidueType.fwd.hh>
#include <core/conformation/Residue.fwd.hh>
#include <core/graph/Graph.fwd.hh>
#include <core/pack/task/PackerTask.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <utility/pointer/ReferenceCount.hh>
#include <utility/io/ozstream.fwd.hh>
#include <utility/io/izstream.fwd.hh>
#include <numeric/random/random.fwd.hh>
#include <map>
#include <utility/vector1.hh>

Classes
class	core::pack::dunbrack::RotamerLibrary

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...
void	core::pack::dunbrack::read_dunbrack_library (RotamerLibrary &rotamer_library)

Detailed Description

Rotamer Library classes and utility functions.

Author

Phil Bradley