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RotamerSet_.hh File Reference

rotamer set implementation class More...

#include <core/pack/rotamer_set/RotamerSet_.fwd.hh>
#include <core/pack/rotamer_set/RotamerSet.hh>
#include <core/pack/rotamer_set/BumpSelector.hh>
#include <core/pack/rotamer_set/RotamerSets.fwd.hh>
#include <core/types.hh>
#include <core/conformation/Residue.fwd.hh>
#include <core/chemical/ResidueType.fwd.hh>
#include <core/pack/dunbrack/RotamerLibrary.fwd.hh>
#include <core/pack/dunbrack/ChiSet.fwd.hh>
#include <core/scoring/trie/RotamerTrieBase.fwd.hh>
#include <core/scoring/EnergyMap.fwd.hh>
#include <utility/pointer/owning_ptr.hh>
#include <utility/vector1.hh>
#include <core/pack/rotamer_set/WaterAnchorInfo.hh>
#include <list>

Classes

class  core::pack::rotamer_set::RotamerSet_
 Container for a set of rotamers for use in packing. Rotamers are sorted into groups of the same residue type. Offsets into these rotamer groups are maintained by this class, as is information concerning the "original rotamer" – the rotamer present on the input pose before packing began. More...
 

Namespaces

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

Functions

bool core::pack::rotamer_set::different_restype (core::chemical::ResidueType const &rt1, core::chemical::ResidueType const &rt2)
 should two residue types be considered the same residue type? More...
 
bool core::pack::rotamer_set::different_resgroup (core::chemical::ResidueType const &rt1, core::chemical::ResidueType const &rt2)
 should two residue types be considered to belong to the same residue-type group? More...
 
void core::pack::rotamer_set::sort_new_rotamers_into_rotset_vector (utility::vector1< conformation::ResidueOP > &rotamers, std::list< conformation::ResidueOP > &rotamers_waiting_for_sort, core::Size &id_for_current_rotamer)
 

Detailed Description

rotamer set implementation class

Author
Rhiju Das (rhiju.nosp@m.@sta.nosp@m.nford.nosp@m..edu)
Andrew Leaver-Fay (leave.nosp@m.rfa@.nosp@m.email.nosp@m..unc.nosp@m..edu)