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Rosetta
2020.50
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Score term for data obtained with double electron-electron resonance (DEER) More...
#include <basic/options/option.hh>
#include <basic/options/keys/epr_deer.OptionKeys.gen.hh>
#include <core/energy_methods/DEEREnergy.hh>
#include <core/energy_methods/DEEREnergyCreator.hh>
#include <core/scoring/epr_deer/DEERData.hh>
#include <core/scoring/epr_deer/DEERDataCache.hh>
#include <core/scoring/epr_deer/EPRSpinLabel.hh>
#include <core/chemical/AA.hh>
#include <core/pose/Pose.hh>
#include <core/pose/datacache/CacheableDataType.hh>
#include <core/scoring/methods/EnergyMethodCreator.hh>
#include <core/scoring/methods/EnergyMethod.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/AtomType.hh>
#include <core/select/util.hh>
#include <core/scoring/AtomVDW.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/scoring/methods/Methods.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoringManager.hh>
#include <core/scoring/DenseEnergyContainer.hh>
#include <core/scoring/LREnergyContainer.hh>
#include <basic/datacache/BasicDataCache.hh>
#include <core/types.hh>
#include <basic/Tracer.hh>
#include <basic/options/option_macros.hh>
#include <basic/database/open.hh>
#include <utility/exit.hh>
#include <utility/vector1.hh>
#include <numeric/constants.hh>
#include <numeric/xyzVector.hh>
#include <numeric/HomogeneousTransform.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <ObjexxFCL/FArray1D.hh>
#include <string>
#include <iostream>
#include <sstream>
#include <iomanip>
#include <algorithm>
#include <set>
#include <stdlib.h>
#include <time.h>
#include <limits>
Namespaces | |
core | |
A class for reading in the atom type properties. | |
core::energy_methods | |
Functions | |
static basic::Tracer | core::energy_methods::TR ("core.energy_methods.DEEREnergy") |
Score term for data obtained with double electron-electron resonance (DEER)
This method is initiated by assigning a weight to deer_decay and providing an input text file via the option -epr_deer:input_files data.txt.