Rosetta  2020.46
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PruneBuriedUnsatsOperation.cc File Reference

Eliminate rotamers that contain a sidechain buried unsat and make no other sidechain h-bonds This is intended to speed up packing by eliminating useless polar rotamers. This can also help to reduce the number of buried unsats in designs because Rosetta can't pack them. More...

#include <protocols/task_operations/PruneBuriedUnsatsOperation.hh>
#include <protocols/task_operations/PruneBuriedUnsatsOperationCreator.hh>
#include <core/chemical/AtomTypeSet.hh>
#include <core/conformation/Residue.hh>
#include <core/id/AtomID_Map.hh>
#include <core/pose/Pose.hh>
#include <core/pack/hbonds/HBondGraph_util.hh>
#include <core/pack/rotamer_set/RotamerSet.hh>
#include <core/pack/rotamer_set/RotamerSetOperation.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/task/operation/TaskOperation.hh>
#include <core/scoring/atomic_depth/AtomicDepth.hh>
#include <core/scoring/hbonds/graph/HBondGraph.hh>
#include <core/scoring/hbonds/HBondOptions.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/ScoreFunction.hh>
#include <utility/tag/Tag.hh>
#include <utility/tag/XMLSchemaGeneration.hh>
#include <core/pack/task/operation/task_op_schemas.hh>
#include <core/pack/rotamer_set/RotamerSets.hh>
#include <core/pose/symmetry/util.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>

Namespaces

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

Functions

static basic::Tracer TR ("protocols.task_operations.PruneBuriedUnsatsOperation")
 

Detailed Description

Eliminate rotamers that contain a sidechain buried unsat and make no other sidechain h-bonds This is intended to speed up packing by eliminating useless polar rotamers. This can also help to reduce the number of buried unsats in designs because Rosetta can't pack them.

Note
This task operation does not work with symmetry at the current time.
Author
Longxing Cao – original idea
Brian Coventry ( bcov@.nosp@m.uw.e.nosp@m.du ) – code implementation

Function Documentation

static basic::Tracer TR ( "protocols.task_operations.PruneBuriedUnsatsOperation"  )
static