Rosetta  2021.16
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Simulated4PDEERTrace.cc File Reference

Class containing simulated DEER dipolar coupling decay data. More...

#include <core/scoring/epr_deer/Simulated4PDEERTrace.hh>
#include <core/types.hh>
#include <basic/Tracer.hh>
#include <utility/excn/Exceptions.hh>
#include <utility/vector1.hh>
#include <map>
#include <tuple>

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.Simulated4PDEERTrace")
 Tracer used for error messages. More...
 

Detailed Description

Class containing simulated DEER dipolar coupling decay data.

Class that simulates the observable signal resulting from electron dipolar coupling.

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

The dipolar coupling signal between two electrons can be simulated from a distance distribution. This class does that simulation by pulling values from the datacache container objects (DEERData) and effectively storing a vector with values of interest.

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