types.hh File Reference

type definitions and enums for classes in core/scoring/nmr More...

#include <core/types.hh>
#include <numeric/xyzMatrix.fwd.hh>
#include <numeric/HomogeneousTransform.fwd.hh>
#include <utility/fixedsizearray1.hh>

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

Typedefs
typedef numeric::xyzMatrix < core::Real >	core::scoring::nmr::Matrix
typedef numeric::HomogeneousTransform < core::Real >	core::scoring::nmr::HT
typedef utility::fixedsizearray1 < core::Real, 5 >	core::scoring::nmr::Vec5

Enumerations
enum	core::scoring::nmr::EULER_CONVENTION { core::scoring::nmr::ZXZ_CONVENTION = 1, core::scoring::nmr::ZYZ_CONVENTION = 2, core::scoring::nmr::ZYX_CONVENTION = 3 }
	possible sequences of euler rotation axes More...
enum	core::scoring::nmr::SINGLE_NMR_VALUE_WEIGHTING { core::scoring::nmr::CONST = 1, core::scoring::nmr::SIGMA = 2, core::scoring::nmr::OBSIG = 3 }
	type of weighting of single PCS/RDC/PRE values More...
enum	core::scoring::nmr::NMR_VALUE_AVERAGING_TYPE { core::scoring::nmr::SUM = 1, core::scoring::nmr::MEAN = 2 }
	the type how equivalent, ambiguous spins are averaged More...
enum	core::scoring::nmr::RDC_TYPE {   core::scoring::nmr::RDC_TYPE_NH = 1, core::scoring::nmr::RDC_TYPE_NCO = 2, core::scoring::nmr::RDC_TYPE_CAHA = 3, core::scoring::nmr::RDC_TYPE_CACO = 4,   core::scoring::nmr::RDC_TYPE_CACB = 5, core::scoring::nmr::RDC_TYPE_NCA = 6, core::scoring::nmr::RDC_TYPE_CAHN = 7, core::scoring::nmr::RDC_TYPE_COHN = 8 }
	the type of the residual dipolar coupling measured between two nuclei More...
enum	core::scoring::nmr::RDC_NORM_TYPE { core::scoring::nmr::NORM_TYPE_NH = 1, core::scoring::nmr::NORM_TYPE_CH = 2, core::scoring::nmr::NORM_TYPE_NONE = 3 }
	type of RDC normalization NORM_TYPE_NH = relative to N-H RDCs NORM_TYPE_CH = relative to CA-HA RDCs NORM_TYPE_NONE = it is assumed that input RDCs have been normalized to N-H RDCs in beforehand (which is the NMR convention). Thus no additional scaling will be applied here More...
enum	core::scoring::nmr::PRE_SPIN_TYPE { core::scoring::nmr::PRE_SPIN_TYPE_H = 1, core::scoring::nmr::PRE_SPIN_TYPE_N = 2, core::scoring::nmr::PRE_SPIN_TYPE_C = 3 }
	type of PRE nuclear spin More...
enum	core::scoring::nmr::PRE_RATE_TYPE { core::scoring::nmr::R2_PARA = 1, core::scoring::nmr::R1_PARA = 2 }
	type of the paramagnetic relaxation rate More...

Detailed Description

type definitions and enums for classes in core/scoring/nmr

last Modified: 11/24/18

Author

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