nmr Directory Reference

Directory dependency graph for nmr:

Directories
directory	pcs
directory	pre
directory	rdc

Files
file	NMRDataFactory.cc
	Implementation of class NMRDataFactory.
file	NMRDataFactory.fwd.hh
	forward declaration for NMRDataFactory.hh
file	NMRDataFactory.hh
	singleton class that handles the creation of different types of NMR data through a common interface. At the moment, it supports three paramagnetic NMR interactions (i.e. PCSs, RDCs, PREs) but other NMR data types can be easily added. They should provide a constructor that takes a filename as argument and is called from inside the factory function which returns an owning pointer to the new created NMR data object.
file	NMRDummySpinlabelEnsemble.cc
file	NMRDummySpinlabelEnsemble.fwd.hh
	forward declaration for NMRDummySpinlabelEnsemble.hh
file	NMRDummySpinlabelEnsemble.hh
	Implementation of classes NMRDummySpinlabelConformer and NMRDummySpinlabelEnsemble.
file	NMRDummySpinlabelVoxelGrid.cc
file	NMRDummySpinlabelVoxelGrid.fwd.hh
	forward declaration for NMRDummySpinlabelVoxelGrid.hh
file	NMRDummySpinlabelVoxelGrid.hh
	Implementation of classes NMRDummySpinlabelVoxelGrid and VoxelGridPoint.
file	NMRGridSearch.cc
	Implementation of class NMRGridSearch.
file	NMRGridSearch.fwd.hh
	forward declaration for NMRGridSearch.hh
file	NMRGridSearch.hh
	class that performs a grid search to find the metal ion position that is in best agreement with PCS and PRE data
file	NMRSpinlabel.cc
	Implementation of class NMRSpinlabel.
file	NMRSpinlabel.fwd.hh
	forward declaration for NMRSpinlabel.hh
file	NMRSpinlabel.hh
	Class that contains data to describe an NMR spinlabel e.g. its chemical structure. The NMRSpinlabel contains the spinlabel's ResidueType, name, code and other related data. An NMRDummySpinlabelEnsemble object is used to represent the spinlabel's conformations. Filtering of NMRDummySpinlabel conformers is done either by neighbor count or bump energy calculation.
file	NMRTensor.cc
	Implementation of class NMRTensor.
file	NMRTensor.fwd.hh
	forward declaration for NMRTensor.hh
file	NMRTensor.hh
	base tensor class for the representation of different NMR interactions like PCS, RDC or CSA
file	types.hh
	type definitions and enums for classes in core/scoring/nmr
file	util.cc
	function definitions for util.hh
file	util.hh
	utility functions for core/scoring/nmr classes