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/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/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>

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

Functions
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, basic::datacache::BasicDataCache &res_data_cache, 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