Rosetta  2021.16
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DEERIO.cc File Reference

IO class for data obtained with double electron-electron resonance (DEER) More...

#include <core/pose/selection.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/pose/ResidueIndexDescription.hh>
#include <core/scoring/epr_deer/metrics/DEERData.hh>
#include <core/scoring/epr_deer/DEERIO.hh>
#include <core/scoring/epr_deer/EPRSpinLabel.hh>
#include <core/scoring/epr_deer/util.hh>
#include <core/scoring/epr_deer/metrics/DEERDistanceDistribution.hh>
#include <core/scoring/epr_deer/metrics/DEERDistanceDistribution.fwd.hh>
#include <core/scoring/epr_deer/metrics/DEERDistanceBounds.hh>
#include <core/scoring/epr_deer/metrics/DEERDistanceBounds.fwd.hh>
#include <core/scoring/epr_deer/metrics/DEERDecayData.hh>
#include <core/scoring/epr_deer/metrics/DEERMiscMethod.hh>
#include <core/scoring/epr_deer/metrics/DEERMiscMethod.fwd.hh>
#include <core/scoring/epr_deer/metrics/DEEROverlapMethod.hh>
#include <core/scoring/epr_deer/metrics/DEEROverlapMethod.fwd.hh>
#include <core/scoring/epr_deer/metrics/DEERJaccardMethod.hh>
#include <core/scoring/epr_deer/metrics/DEERJaccardMethod.fwd.hh>
#include <core/scoring/epr_deer/metrics/DEERJSMethod.hh>
#include <core/scoring/epr_deer/metrics/DEERJSMethod.fwd.hh>
#include <core/scoring/epr_deer/metrics/DEERChiSqMethod.hh>
#include <core/scoring/epr_deer/metrics/DEERChiSqMethod.fwd.hh>
#include <core/types.hh>
#include <numeric/xyzVector.hh>
#include <numeric/constants.hh>
#include <basic/Tracer.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/epr_deer.OptionKeys.gen.hh>
#include <basic/options/option_macros.hh>
#include <basic/database/open.hh>
#include <utility/io/izstream.hh>
#include <utility/fixedsizearray1.hh>
#include <utility/excn/Exceptions.hh>
#include <ObjexxFCL/string.functions.hh>
#include <fstream>
#include <iostream>
#include <sstream>
#include <string>
#include <boost/algorithm/string.hpp>

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.DEERIO")
 Tracer used for error messages. More...
 

Detailed Description

IO class for data obtained with double electron-electron resonance (DEER)

This class is only called once at the beginning of the application by the energy method. It then parses the input file and the electron coordinate file. The input file is then used to create a "map" (essentially a fake graph) which then becomes the basis of the DEERData object.

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