PruneBuriedUnsatsOperation.hh 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.fwd.hh>
#include <core/pack/rotamer_set/RotamerSetOperation.hh>
#include <core/pack/task/PackerTask.fwd.hh>
#include <core/pack/task/operation/TaskOperation.hh>
#include <core/pack/rotamer_set/RotamerSets.hh>
#include <utility/graph/Graph.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/pack/dunbrack/ChiSet.fwd.hh>
#include <utility/VirtualBase.hh>
#include <utility/tag/Tag.fwd.hh>
#include <utility/tag/XMLSchemaGeneration.fwd.hh>
#include <utility/vector1.hh>

Classes
class	protocols::task_operations::PruneBuriedUnsats_RotamerSetsOperation
class	protocols::task_operations::PruneBuriedUnsatsOperation

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

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