CalcInterNeighborGroup.cc File Reference

This is meant for finding interfaces between protein domains - like protein-protein interfaces but within a protein. It's more flexible than that, though. You define groups of residues within a protein (say, the N and C terminal domains). You then define which pairs of groups you are interested in. This calculator returns the union of the sets of residues at the interfaces between these domains/groups. This calculator contains a superset of the functionality of some of the other calculators, but is less efficient in simple cases. The pose does NOT have to have been scored. More...

#include <protocols/toolbox/CalcInterNeighborGroup.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/PointGraph.hh>
#include <core/conformation/find_neighbors.hh>
#include <utility/graph/Graph.hh>
#include <basic/Tracer.hh>
#include <utility/exit.hh>
#include <core/conformation/PointGraphData.hh>
#include <utility/graph/UpperEdgeGraph.hh>

Namespaces
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
	protocols::toolbox

Functions
static basic::Tracer	TR ("protocols.toolbox.PoseMetricCalculators.CalcInterNeighborGroup")

Detailed Description

This is meant for finding interfaces between protein domains - like protein-protein interfaces but within a protein. It's more flexible than that, though. You define groups of residues within a protein (say, the N and C terminal domains). You then define which pairs of groups you are interested in. This calculator returns the union of the sets of residues at the interfaces between these domains/groups. This calculator contains a superset of the functionality of some of the other calculators, but is less efficient in simple cases. The pose does NOT have to have been scored.

Author

Steven Lewis

Jared Adolf-Bryfogle (split from IGNC pose calculator)

Function Documentation

TR()

static basic::Tracer TR ( "protocols.toolbox.PoseMetricCalculators.CalcInterNeighborGroup"  )

static