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Rosetta
2021.07
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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/scoring/epr_deer/util.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 <utility/excn/Exceptions.hh>
#include <numeric/constants.hh>
#include <numeric/xyzVector.hh>
#include <numeric/HomogeneousTransform.hh>
#include <boost/algorithm/string.hpp>
#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") |
Tracer used for error messages. More... | |
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.