MembraneDDGMover.cc File Reference

Compute ddG Scores for comparison with experimental ddGs in Membrane Proteins. More...

#include <protocols/membrane/ddG/MembraneDDGMover.hh>
#include <protocols/membrane/ddG/MembraneDDGMoverCreator.hh>
#include <protocols/membrane/ddG/Mutation.hh>
#include <protocols/membrane/AddMembraneMover.hh>
#include <protocols/membrane/MembranePositionFromTopologyMover.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/simple_moves/PackRotamersMover.hh>
#include <core/chemical/AA.hh>
#include <core/conformation/Conformation.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/PointGraph.hh>
#include <core/conformation/find_neighbors.hh>
#include <core/conformation/PointGraphData.hh>
#include <core/graph/UpperEdgeGraph.hh>
#include <core/pack/task/operation/TaskOperations.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/task/ResfileReader.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/pose/Pose.hh>
#include <core/pose/util.hh>
#include <core/types.hh>
#include <protocols/rosetta_scripts/util.hh>
#include <protocols/filters/Filter.hh>
#include <basic/datacache/DataMap.hh>
#include <basic/Tracer.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/packing.OptionKeys.gen.hh>
#include <utility/tag/Tag.hh>
#include <cstdlib>
#include <set>
#include <iterator>
#include <algorithm>
#include <iostream>

Namespaces
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
	protocols::membrane
	protocols::membrane::ddG

Variables
static basic::Tracer	TR ("protocols.membrane.ddG.MembraneDDGMover")

Detailed Description

Compute ddG Scores for comparison with experimental ddGs in Membrane Proteins.

Initialize a membrane pose, compute an initial membrane position, compute a native score, make mutation, repack sidechains within radius, and score new structure. Uses a quick mutation object interface instead of resfiles for easily breaking down tasks.

Author

Rebecca Alford (rfalf.nosp@m.ord1.nosp@m.2@gma.nosp@m.il.c.nosp@m.om)

Note

Last Modified (7/20/14)

Variable Documentation

basic::Tracer TR("protocols.membrane.ddG.MembraneDDGMover")

static