Rosetta  2021.16
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Namespaces | Functions
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 <basic/MetricValue.hh>
#include <core/conformation/PointGraph.hh>
#include <core/conformation/find_neighbors.hh>
#include <utility>
#include <utility/graph/Graph.hh>
#include <basic/Tracer.hh>
#include <utility/exit.hh>
#include <utility/string_util.hh>
#include <basic/options/keys/packing.OptionKeys.gen.hh>
#include <core/conformation/PointGraphData.hh>
#include <utility/graph/UpperEdgeGraph.hh>
#include <utility/vector1.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

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