Rosetta  2021.16
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Classes | Namespaces
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).