BuriedUnsatPenaltyGraph.hh File Reference

The BuriedUnsatPenaltyGraph class and its related Node and Edge classes. More...

#include <core/pack/guidance_scoreterms/buried_unsat_penalty/graph/BuriedUnsatPenaltyGraph.fwd.hh>
#include <core/pack/guidance_scoreterms/buried_unsat_penalty/graph/BuriedUnsatPenaltyGraphOptions.fwd.hh>
#include <core/conformation/Residue.fwd.hh>
#include <core/scoring/hbonds/HBondOptions.fwd.hh>
#include <core/scoring/hbonds/HBondDatabase.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/conformation/symmetry/SymmetryInfo.fwd.hh>
#include <numeric/xyzVector.hh>
#include <utility/graph/Graph.hh>
#include <utility/VirtualBase.hh>
#include <core/pack/rotamer_set/RotamerSets.fwd.hh>
#include <core/types.hh>
#include <core/pack/guidance_scoreterms/buried_unsat_penalty/BuriedUnsatPenaltyTests.fwd.hh>
#include <core/pack/guidance_scoreterms/buried_unsat_penalty/graph/BuriedUnsatPenaltyGraphTests.fwd.hh>

Classes
class	core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphHbond
	A hydrogen bond between two atoms in two residues. Since this is tied to a BuriedUnsatPenaltyEdge (which in turn is associated with two residues), it stores only donor group index and acceptor group index. The group indices match the indexing in the corresponding node. More...
class	core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraphHbondDonorAcceptorGroup
	A class for a hydrogen bond donor group or acceptor group. More...
class	core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyNodeData
	Data stored inside a BuriedUnsatPenaltyNode. More...
class	core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyNode
	Each BuriedUnsatPenaltyNode represents a rotamer from the RotamerSets object, or a residue (if we're doing a simple scoring pass). More...
class	core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyEdgeData
class	core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyEdge
	Each BuriedUnsatPenaltyEdge represents a hydrogen bonding interaction between two residues, and stores information about (a) the number of hydrogen bonds, and (b) the atoms involved. More...
class	core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraph
	The BuriedUnsatPenaltyGraph consists of nodes representing resiudues (or rotamers in packing mode) and edges representing hydrogen-bonding interactions. Each node stores a list of hydrogen bond donor and acceptor atoms that we're seeking to satisfy; each edge stores the donors and acceptors that are connected by hydrogen bonds when two residues (or rotamers) interact. More...

Namespaces
	core
	A class for reading in the atom type properties.
	core::pack
	core::pack::guidance_scoreterms
	core::pack::guidance_scoreterms::buried_unsat_penalty
	core::pack::guidance_scoreterms::buried_unsat_penalty::graph

Detailed Description

The BuriedUnsatPenaltyGraph class and its related Node and Edge classes.

Headers for the BuriedUnsatPenaltyGraph class and its related Node and Edge classes.

Author

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