Rosetta 3.4
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src/core/pack/interaction_graph/HPatchInteractionGraph.hh File Reference

Interaction graph which implements a non-PD score that optimizes against surface hydrophobic patches. More...

#include <core/chemical/AtomType.hh>
#include <core/chemical/AtomTypeSet.hh>
#include <core/chemical/ResidueType.hh>
#include <core/conformation/Residue.hh>
#include <core/graph/DisjointSets.hh>
#include <core/pack/interaction_graph/HPatchInteractionGraph.fwd.hh>
#include <core/pack/interaction_graph/AdditionalBackgroundNodesInteractionGraph.hh>
#include <core/pack/interaction_graph/InteractionGraphBase.hh>
#include <core/pack/interaction_graph/LinearMemoryInteractionGraph.hh>
#include <core/pack/interaction_graph/RotamerDots.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/rotamer_set/RotamerSet.hh>
#include <core/pack/rotamer_set/RotamerSets.hh>
#include <core/pose/Pose.hh>
#include <core/scoring/sasa.hh>
#include <core/pack/interaction_graph/SurfacePotential.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>
#include <utility/exit.hh>
#include <ObjexxFCL/FArray1D.hh>
#include <vector>

Classes

struct  core::pack::interaction_graph::exposed_hydrophobic_data
class  core::pack::interaction_graph::HPatchNode< V, E, G >
 Defines a FirstClass node which will keep track of changes in the SASA and hpatch score. FirstClassNode is defined and implemented in AdditionalBackgroundNodesInteractionGraph. More...
class  core::pack::interaction_graph::HPatchBackgroundNode< V, E, G >
 Defines a Background Node which will contribute to changes in SASA/hpatchE due to state changes on neighboring nodes, and not because of state changes to it. No default constructor makes this class uncopyable. More...
class  core::pack::interaction_graph::HPatchEdge< V, E, G >
 Defines a HPatch Edge which connects two first-class HPatch Nodes. Edges have to keep some state so that updates to SASA and the hpatch score can be done fast. More...
class  core::pack::interaction_graph::HPatchBackgroundEdge< V, E, G >
 Defines an edge between a FirstClass (HPatchNode) and a background node (HPatchBackgroundNode) More...
class  core::pack::interaction_graph::HPatchInteractionGraph< V, E, G >
 Defines the interaction graph that will keep track of changes to the hpatch score. More...

Namespaces

namespace  core
 

A class for defining atom parameters, known as atom_types.


namespace  core::pack
namespace  core::pack::interaction_graph

Functions

static basic::Tracer core::pack::interaction_graph::TR_NODE ("core.pack.hpatchig.node")
 Tracer instance for this file.
static basic::Tracer core::pack::interaction_graph::TR_EDGE ("core.pack.hpatchig.edge")
static basic::Tracer core::pack::interaction_graph::TR_BGNODE ("core.pack.hpatchig.bgnode")
static basic::Tracer core::pack::interaction_graph::TR_BGEDGE ("core.pack.hpatchig.bgedge")
static basic::Tracer core::pack::interaction_graph::TR_HIG ("core.pack.hpatchig.ig")
static basic::Tracer core::pack::interaction_graph::TR_STATS ("core.pack.hpatchig.stats")

Detailed Description

Interaction graph which implements a non-PD score that optimizes against surface hydrophobic patches.

Author:
Ron Jacak (ron.jacak@gmail.com)
Andrew Leaver-Fay
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