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)