pcs Directory Reference

Directory dependency graph for pcs:

Files
file	PCSEnergy.cc
	Implementation of class PCSEnergy.
file	PCSEnergy.fwd.hh
	forward declaration for PCSEnergy.hh
file	PCSEnergy.hh
	class that calculates energy from NMR pseudocontact shift data
file	PCSEnergyCreator.hh
	Declaration for the class that connects PCSEnergy with the ScoringManager.
file	PCSLigandTransformMover.cc
	Implementation of PCSLigandTransformMover.
file	PCSLigandTransformMover.fwd.hh
	forward declaration for PCSLigandTransformMover
file	PCSLigandTransformMover.hh
	Finds a ligand position and orientation that minimizes experimental PCS data through a grid search. The pose found by PCSLigandTransformMover can be used as starting position for subsequent ligand docking.
file	PCSLigandTransformMoverCreator.hh
	This class will create instances of PCSLigandTransformMover for the MoverFactory.
file	PCSTensorOptimizer.cc
	Implementation of class PCSTensorOptimizer.
file	PCSTensorOptimizer.fwd.hh
	forward declaration for PCSTensorOptimizer.hh
file	PCSTensorOptimizer.hh
	class that performs optimization of the lanthanide coordinates and other components of the PCSTensor in the laboratory frame. Used in combination with PCS grid search and SVD.