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NMRDummySpinlabelVoxelGrid.hh File Reference

Implementation of classes NMRDummySpinlabelVoxelGrid and VoxelGridPoint. More...

#include <core/scoring/nmr/NMRDummySpinlabelVoxelGrid.fwd.hh>
#include <numeric/VoxelGrid.impl.hh>
#include <core/scoring/nmr/NMRDummySpinlabelEnsemble.fwd.hh>
#include <core/scoring/nmr/util.hh>
#include <core/types.hh>
#include <core/conformation/Residue.hh>
#include <utility/vector1.hh>
#include <utility/VirtualBase.hh>
#include <numeric/xyzVector.hh>

Classes

class  core::scoring::nmr::VoxelGridPoint
 Base class of a point object from which the voxel grid is created. More...
 
class  core::scoring::nmr::NMRDummySpinlabelAtom
 Derived class of VoxelGridPoint to store the 3D coordinates of one atom of a NMRDummySpinlabelConformer. NMRDummySpinlabelAtom is also a member of NMRDummySpinlabelConformer and holds a const pointer to its outer class. More...
 
class  core::scoring::nmr::VoxelGridPoint_AA
 Derived class of VoxelGridPoint to store the 3D coordinates of one atom of an amino acid residue. In addition, it holds a const pointer to the residue object to which it refers to. More...
 
class  core::scoring::nmr::NMRDummySpinlabelVoxelGrid
 Derived class of VoxelGrid to create a grid of VoxelGridPoint objects. More...
 

Namespaces

 core
 A class for reading in the atom type properties.
 
 core::scoring
 
 core::scoring::nmr
 

Detailed Description

Implementation of classes NMRDummySpinlabelVoxelGrid and VoxelGridPoint.

Child class of VoxelGrid. Stores references to atom coordinates of every spinlabel ensemble member. For fast lookup of relevant spinlabel atoms within a specified neighborhood radius that should be considered for clash score calculation.

last Modified: 11/02/17

Author
Georg Kuenze (georg.nosp@m..kue.nosp@m.nze@v.nosp@m.ande.nosp@m.rbilt.nosp@m..edu)

last Modified: 02/11/17

Author
Georg Kuenze (georg.nosp@m..kue.nosp@m.nze@v.nosp@m.ande.nosp@m.rbilt.nosp@m..edu)