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rtmin.cc File Reference

rotamer trials with minimization module header. Originally concieved of and implemented in Rosetta++ by Chu Wang. More...

#include <core/pack/rtmin.hh>
#include <core/pack/packer_neighbors.hh>
#include <core/pack/rotamer_set/RotamerSet.hh>
#include <core/pack/rotamer_set/RotamerSetFactory.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/scmin/SCMinMultifunc.hh>
#include <core/pack/scmin/CartSCMinMultifunc.hh>
#include <core/pack/scmin/SCMinMinimizerMap.hh>
#include <core/pack/scmin/AtomTreeSCMinMinimizerMap.hh>
#include <core/pack/scmin/CartSCMinMinimizerMap.hh>
#include <core/pack/scmin/AtomTreeCollection.hh>
#include <core/types.hh>
#include <core/conformation/Residue.hh>
#include <core/id/AtomID.hh>
#include <core/optimization/types.hh>
#include <core/optimization/Minimizer.hh>
#include <core/optimization/MinimizerOptions.hh>
#include <core/pose/Pose.hh>
#include <core/scoring/MinimizationGraph.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/LREnergyContainer.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/methods/LongRangeTwoBodyEnergy.hh>
#include <core/scoring/methods/EnergyMethod.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>
#include <numeric/random/random.hh>
#include <numeric/random/random_permutation.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/optimization.OptionKeys.gen.hh>
#include <core/kinematics/Jump.hh>
#include <utility/vector0.hh>

Namespaces

 ObjexxFCL
 C++ headers.
 
 ObjexxFCL::fmt
 
 core
 A class for defining atom parameters, known as atom_types.
 
 core::pack
 

Constant Groups

 ObjexxFCL
 C++ headers.
 
 ObjexxFCL::fmt
 
 core
 A class for defining atom parameters, known as atom_types.
 
 core::pack
 

Functions

static
numeric::random::RandomGenerator 
core::pack::rtmin_RG (206025)
 
static basic::Tracer core::pack::TR ("core.pack.rtmin")
 
utility::vector1< uint > core::pack::repackable_residues_dup (task::PackerTask const &the_task)
 
void core::pack::reinitialize_mingraph_neighborhood_for_residue (pose::Pose &pose, scoring::ScoreFunction const &scorefxn, utility::vector1< conformation::ResidueCOP > const &bgres, pack::scmin::SCMinMinimizerMap const &scminmap, conformation::Residue const &rsd, scoring::MinimizationGraph &mingraph)
 

Detailed Description

rotamer trials with minimization module header. Originally concieved of and implemented in Rosetta++ by Chu Wang.

Author
Ian W. Davis (ian.w.nosp@m..dav.nosp@m.is@gm.nosp@m.ail..nosp@m.com)
Andrew Leaver-Fay (aleav.nosp@m.erfa.nosp@m.y@gma.nosp@m.il.c.nosp@m.om) – reimplemented 8/2010