Rosetta  2021.16
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RNA_CS_RingCurrent.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::ring_pos (conformation::Residue const &rsd, RNA_CS_residue_parameters const &rna_cs_rsd_params, Size const ring_ID)
 
Real core::scoring::rna::chemical_shift::ring_current_effect (numeric::xyzVector< core::Real > const &atom_xyz, conformation::Residue const &source_rsd, RNA_CS_residue_parameters const &rna_cs_rsd_params)
 The ring_current contribution of source_rsd to the chemical_shift at atom_xyz. More...
 
numeric::xyzVector< core::Realcore::scoring::rna::chemical_shift::get_ring_current_deriv (numeric::xyzVector< core::Real > const &CS_data_atom_xyz, conformation::Residue const &source_rsd, core::Size const source_ring_ID, RNA_CS_residue_parameters const &source_rsd_CS_params)
 

Detailed Description

Author
Parin Sripakdeevong (sripa.nosp@m.kpa@.nosp@m.stanf.nosp@m.ord..nosp@m.edu)