Rosetta  2021.16
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Namespaces | Functions
RNA_CS_MagneticAnisotropy.hh File Reference
#include <core/types.hh>
#include <core/conformation/Residue.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/id/AtomID.fwd.hh>
#include <core/scoring/rna/chemical_shift/RNA_CS_Parameters.hh>

Namespaces

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

Functions

numeric::xyzVector< core::Realcore::scoring::rna::chemical_shift::get_delta_magnetic_anisotropy_deriv (numeric::xyzVector< core::Real > const &CS_data_atom_xyz, numeric::xyzVector< core::Real > const &source_atom_xyz, numeric::xyzMatrix< core::Real > const &base_coordinate_matrix, RNA_CS_residue_parameters const &source_rsd_CS_params, Size const realatomdata_index)
 
Real core::scoring::rna::chemical_shift::magnetic_anisotropy_effect (numeric::xyzVector< core::Real > const &atom_xyz, conformation::Residue const &source_rsd, RNA_CS_residue_parameters const &source_rsd_CS_params)
 The magnetic_anisotropy contribution of source_rsd to the chemical_shift at atom_xyz. More...