BackrubMover.cc File Reference

implementation of BackrubMover class and functions More...

#include <protocols/backrub/BackrubMover.hh>
#include <protocols/backrub/BackrubMoverCreator.hh>
#include <protocols/backrub/util.hh>
#include <protocols/canonical_sampling/MetropolisHastingsMover.hh>
#include <protocols/moves/MonteCarlo.hh>
#include <protocols/rosetta_scripts/util.hh>
#include <core/pose/selection.hh>
#include <core/select/util.hh>
#include <core/chemical/ResidueType.hh>
#include <core/conformation/Residue.hh>
#include <core/id/DOF_ID_Range.hh>
#include <core/kinematics/AtomTree.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/kinematics/MoveMap.fwd.hh>
#include <core/scoring/mm/MMBondAngleResidueTypeParamSet.fwd.hh>
#include <core/pose/Pose.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreType.hh>
#include <core/types.hh>
#include <core/select/movemap/MoveMapFactory.hh>
#include <core/select/movemap/util.hh>
#include <numeric/angle.functions.hh>
#include <numeric/conversions.hh>
#include <numeric/IntervalSet.hh>
#include <numeric/random/random.hh>
#include <numeric/xyzVector.hh>
#include <utility/exit.hh>
#include <utility/string_util.hh>
#include <utility/tag/Tag.hh>
#include <ObjexxFCL/string.functions.hh>
#include <iomanip>
#include <set>
#include <basic/options/option.hh>
#include <basic/Tracer.hh>
#include <basic/datacache/DataMap.fwd.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/backrub.OptionKeys.gen.hh>
#include <numeric/trig.functions.hh>
#include <core/id/TorsionID_Range.hh>
#include <core/kinematics/tree/Atom.hh>
#include <utility/vector0.hh>
#include <utility/vector1.hh>
#include <utility/keys/Key3Vector.hh>
#include <utility/tag/XMLSchemaGeneration.hh>
#include <protocols/moves/mover_schemas.hh>
#include <core/select/residue_selector/ResidueSelector.hh>

Namespaces
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
	protocols::backrub

Functions
static basic::Tracer	TR ("protocols.backrub.BackrubMover")
void	protocols::backrub::init_backrub_mover_with_options (BackrubMover &mover)
int	protocols::backrub::tree_distance (kinematics::tree::AtomCOP ancestor, kinematics::tree::AtomCOP descendent)
	calculate the number of atom tree bonds between the two atoms possibly move this into the Atom class More...
core::Size	protocols::backrub::connected_mainchain_atomids (Pose const &pose, core::id::AtomID atomid, utility::vector1< core::id::AtomID > &atomids)
void	protocols::backrub::backrub_rotation_constants (core::kinematics::tree::AtomCOP PM2_atom, core::kinematics::tree::AtomCOP PM1_atom, core::kinematics::tree::AtomCOP P_atom, core::kinematics::tree::AtomCOP PP1_atom, core::kinematics::tree::AtomCOP PP2_atom, core::kinematics::tree::AtomCOP REF_atom, utility::vector0< Real > &constants, core::Real const alpha_min, core::Real const alpha_max, numeric::IntervalSet< core::Real > *tau_intervals)
void	protocols::backrub::backrub_rotation_angles (utility::vector0< Real > const &constants, Real const tau, Real &bondange, Real &torsion1, Real &torsion2)

Detailed Description

implementation of BackrubMover class and functions

Author

Colin A. Smith (colin.nosp@m..smi.nosp@m.th@mp.nosp@m.ibpc.nosp@m..mpg..nosp@m.de)

Function Documentation

TR()

static basic::Tracer TR ( "protocols.backrub.BackrubMover"  )

static