NMRSpinlabel.hh File Reference

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. More...

#include <core/scoring/nmr/NMRSpinlabel.fwd.hh>
#include <core/scoring/nmr/NMRDummySpinlabelEnsemble.fwd.hh>
#include <core/scoring/nmr/util.hh>
#include <core/types.hh>
#include <core/chemical/ResidueType.fwd.hh>
#include <core/conformation/Residue.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <basic/Tracer.fwd.hh>
#include <utility/vector1.hh>
#include <utility/VirtualBase.hh>
#include <numeric/xyzVector.hh>
#include <iosfwd>
#include <string>

Classes
class	core::scoring::nmr::NMRSpinlabel

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

Detailed Description

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.

last Modified: 08/31/16

Author

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