Rosetta  2020.46
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SimpleInteractionGraph.hh File Reference
#include <core/pack/interaction_graph/SimpleInteractionGraph.fwd.hh>
#include <core/pack/task/PackerTask.fwd.hh>
#include <core/types.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/scoring/methods/EnergyMethod.fwd.hh>
#include <core/scoring/ScoreType.hh>
#include <core/conformation/Residue.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <basic/datacache/BasicDataCache.fwd.hh>
#include <numeric/xyzVector.hh>
#include <utility/graph/Graph.hh>
#include <utility/vector1.hh>


class  core::pack::interaction_graph::SimpleNode
class  core::pack::interaction_graph::SimpleEdge
class  core::pack::interaction_graph::SimpleInteractionGraph
 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

Liz Kellogg (ekell.nosp@m.ogg@.nosp@m.u.was.nosp@m.hing.nosp@m.ton.e.nosp@m.du)