Classes | Namespaces
NPDHBSimpleInteractionGraph.hh File Reference
#include <core/pack/interaction_graph/NPDHBSimpleInteractionGraph.fwd.hh>
#include <core/pack/interaction_graph/SimpleInteractionGraph.hh>
#include <core/pack/interaction_graph/NPDHBondInteractionGraph.fwd.hh>
#include <core/types.hh>
#include <utility/graph/Graph.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/scoring/hbonds/NPDHBondSet.fwd.hh>
#include <core/scoring/hbonds/HBondOptions.fwd.hh>
#include <core/scoring/hbonds/HBondDatabase.fwd.hh>
#include <core/scoring/hbonds/types.hh>
#include <core/conformation/Residue.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <utility/vector1.hh>
#include <list>


class  core::pack::interaction_graph::NPDHBSimpleNode
class  core::pack::interaction_graph::NPDHBSimpleEdge
class  core::pack::interaction_graph::NPDHBSimpleInteractionGraph
 A simple graph class for calculating pairwise decomposable energies as sidechains are moving on a fixed backbone. This class is responsible for calculating energy changes, but is passive about how the sidechains are changing. There are two main ways to drive the graph: one where the graph ACTIVELY takes charge of updating pointers to the sidechains, where, each external change of one pointer triggers an update to the energies; and a second, where the graph is PASSIVE wrt the pointers, and they must be maintained by an external driver. More...


 A class for reading in the atom type properties.

Detailed Description

Andrew Leaver-Fay (