Rosetta  2021.16
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Namespaces | Functions
NetChargeEnergySetup.cc File Reference

A helper for the EnergyMethod that penalizes deviation from a desired net charge. More...

#include <core/scoring/netcharge_energy/NetChargeEnergySetup.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/ResidueType.hh>
#include <core/pose/Pose.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>
#include <basic/database/open.hh>
#include <utility/io/ozstream.hh>
#include <utility/io/izstream.hh>
#include <utility/string_util.hh>
#include <utility/file/file_sys_util.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>
#include <utility/pointer/owning_ptr.hh>
#include <ObjexxFCL/string.functions.hh>
#include <cmath>

Namespaces

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

Functions

static basic::Tracer core::scoring::netcharge_energy::TR ("core.scoring.netcharge_energy.NetChargeEnergySetup")
 

Detailed Description

A helper for the EnergyMethod that penalizes deviation from a desired net charge.

This energy method is inherently not pairwise decomposible. However, it is intended for very rapid calculation, and has been designed to plug into Alex Ford's modifications to the packer that permit it to work with non-pairwise scoring terms.

Author
Vikram K. Mulligan (vmull.nosp@m.ig@u.nosp@m.w.edu).