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BackrubMover.hh File Reference

definition of BackrubMover class and functions More...

#include <protocols/backrub/BackrubMover.fwd.hh>
#include <core/id/DOF_ID_Range.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/kinematics/tree/Atom.fwd.hh>
#include <core/kinematics/MoveMap.fwd.hh>
#include <core/select/movemap/MoveMapFactory.fwd.hh>
#include <core/select/residue_selector/ResidueSelector.hh>
#include <protocols/branch_angle/BranchAngleOptimizer.hh>
#include <protocols/canonical_sampling/ThermodynamicMover.hh>
#include <protocols/backrub/BackrubSegment.hh>
#include <basic/datacache/DataMap.fwd.hh>
#include <protocols/filters/Filter.fwd.hh>
#include <utility/keys/Key3Vector.hh>
#include <utility/tag/XMLSchemaGeneration.fwd.hh>
#include <numeric/IntervalSet.fwd.hh>
#include <map>
#include <utility/vector0_bool.hh>
#include <utility/vector1.hh>
#include <numeric/NumericTraits.hh>

Classes

class  protocols::backrub::BackrubMover
 class for applying backrub moves to arbitrary protein segments More...
 

Namespaces

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

Functions

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< core::Real > &constants, core::Real const alpha_min=0, core::Real const alpha_max=numeric::NumericTraits< core::Real >::pi(), numeric::IntervalSet< core::Real > *tau_intervals=nullptr)
 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...
 

Detailed Description

definition 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)