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SAXSEnergy.cc File Reference

FastSAX scoring of Stovgaard et al (BMC Bioinf. 2010) More...

#include <core/scoring/saxs/FormFactorManager.hh>
#include <core/scoring/saxs/FormFactor.hh>
#include <core/scoring/saxs/SinXOverX.hh>
#include <core/energy_methods/SAXSEnergy.hh>
#include <core/energy_methods/SAXSEnergyCreatorFA.hh>
#include <core/energy_methods/SAXSEnergyCreatorCEN.hh>
#include <core/energy_methods/SAXSEnergyCreator.hh>
#include <core/scoring/saxs/DistanceHistogram.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/methods/WholeStructureEnergy.hh>
#include <core/pose/Pose.hh>
#include <core/chemical/AtomType.hh>
#include <core/conformation/Residue.hh>
#include <core/io/pdb/build_pose_as_is.hh>
#include <numeric/interpolation/spline/Interpolator.hh>
#include <numeric/interpolation/spline/SplineGenerator.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/OptionKeys.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>
#include <core/chemical/ChemicalManager.hh>
#include <basic/database/open.hh>
#include <basic/Tracer.hh>
#include <utility/io/izstream.hh>
#include <iomanip>
#include <string>
#include <utility/vector1.hh>

Namespaces

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

Functions

static basic::Tracer core::energy_methods::trSAXSEnergy ("core.energy_methods.SAXSEnergy")
 

Detailed Description

FastSAX scoring of Stovgaard et al (BMC Bioinf. 2010)

"Energy" based on a similarity of theoretical SAXS spectrum computed for a pose and the experimental data

Author
Frank DiMaio
Dominik Gront (dgron.nosp@m.t@ch.nosp@m.em.uw.nosp@m..edu.nosp@m..pl)