KinematicControl.hh File Reference

this class will be handled to a SampleProtocol as a control instance More...

#include <protocols/abinitio/KinematicControl.fwd.hh>
#include <core/types.hh>
#include <core/kinematics/ShortestPathInFoldTree.fwd.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/kinematics/MoveMap.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <protocols/simple_moves/FragmentMover.fwd.hh>
#include <ObjexxFCL/FArray1D.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <utility/pointer/ReferenceCount.hh>
#include <string>
#include <utility/vector1.hh>

Classes
class	protocols::abinitio::KinematicControl
class	protocols::abinitio::CoordinateConstraintKC

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

Detailed Description

this class will be handled to a SampleProtocol as a control instance

Detailed: responsibilities:

know which chainbreaks to penalize and close know which jumps to use during sampling, which (if any) to keep after loop-closing supply a JumpMover if jumps should be moved supply a MoveMap supply a "StrictMoveMap": the protocol should not move anything that is dissallowed in strict_movemap(), it should try to move just stuff in movemap() should this class also know how to ramp score terms ? handle the titration of constraints ?

Author

Oliver Lange