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nmr Directory Reference
Directory dependency graph for nmr:
src/core/scoring/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