Rosetta  2020.46
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EPRSpinLabel.cc File Reference

This is a container class specific to the use of double electron-electron resonance data. More...

#include <core/scoring/epr_deer/EPRSpinLabel.hh>
#include <core/chemical/AtomType.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/ResidueType.hh>
#include <core/conformation/Atom.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/pose/symmetry/util.hh>
#include <core/select/util.hh>
#include <core/scoring/AtomVDW.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoringManager.hh>
#include <core/scoring/TenANeighborGraph.hh>
#include <core/types.hh>
#include <core/conformation/symmetry/SymmetricConformation.hh>
#include <core/conformation/symmetry/SymmetryInfo.hh>
#include <core/conformation/symmetry/SymmetryInfo.fwd.hh>
#include <basic/Tracer.hh>
#include <basic/database/open.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/epr_deer.OptionKeys.gen.hh>
#include <basic/options/option_macros.hh>
#include <utility/vector1.hh>
#include <utility/io/izstream.hh>
#include <numeric/constants.hh>
#include <numeric/xyzVector.hh>
#include <numeric/HomogeneousTransform.hh>
#include <stdlib.h>
#include <iostream>
#include <set>

Namespaces

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

Functions

static basic::Tracer core::scoring::epr_deer::TR ("core.scoring.epr_deer.EPRSpinLabel")
 

Variables

static const utility::vector1
< PseudoElectron > 
core::scoring::epr_deer::mtssl13_
 
static const utility::vector1
< PseudoElectron > 
core::scoring::epr_deer::mtssl50_unweighted_
 
static core::scoring::AtomVDWOP core::scoring::epr_deer::atom_vdw_ = core::scoring::AtomVDWOP( nullptr )
 

Detailed Description

This is a container class specific to the use of double electron-electron resonance data.

This container manages the simulated distance distributions for the deer_decay and deer_distance energy method. It also manages individual electron coordinate ensembles for a given protein, although a reference to that pose is not stored in this object.

Author
Diego del Alamo ( del.a.nosp@m.lamo.nosp@m.@vand.nosp@m.erbi.nosp@m.lt.ed.nosp@m.u )