BackrubMover.cc File Reference

implementation of BackrubMover class and functions More...

#include <protocols/backrub/BackrubMover.hh>
#include <protocols/backrub/BackrubMoverCreator.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/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/scoring/mm/MMBondAngleResidueTypeParamSet.hh>
#include <basic/options/option.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 <basic/Tracer.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/keys/backrub.OptionKeys.gen.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>

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

Functions
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< double > &constants, core::Real const alpha_min=0, core::Real const alpha_max=numeric::NumericTraits< core::Real >::pi(), numeric::IntervalSet< core::Real > *tau_intervals=NULL)
	calculate constants necessary for calculating internal angles/derivatives More...
void	protocols::backrub::backrub_rotation_angles (utility::vector0< core::Real > const &constants, core::Real const tau, core::Real &bondange, core::Real &torsion1, core::Real &torsion2)
	calculate internal coordinate values for any tau value More...

Variables
static numeric::random::RandomGenerator	RG (2225782)
static basic::Tracer	TR ("protocols.backrub.BackrubMover")

Detailed Description

implementation of BackrubMover class and functions

Author

Colin A. Smith (colin.nosp@m..smi.nosp@m.th@uc.nosp@m.sf.e.nosp@m.du)

Variable Documentation

numeric::random::RandomGenerator RG(2225782)

static

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

static