protocols::task_operations::PruneBuriedUnsats_RotamerSetsOperation Class Reference

#include <PruneBuriedUnsatsOperation.hh>

Inheritance diagram for protocols::task_operations::PruneBuriedUnsats_RotamerSetsOperation:

Public Member Functions
	PruneBuriedUnsats_RotamerSetsOperation (bool allow_even_trades, core::Real atomic_depth_probe_radius, core::Real atomic_depth_resolution, core::Real atomic_depth_cutoff, core::Real minimum_hbond_energy, core::scoring::ScoreFunctionOP scorefxn_sc, core::scoring::ScoreFunctionOP scorefxn_bb)
	~PruneBuriedUnsats_RotamerSetsOperation () override
core::pack::rotamer_set::RotamerSetsOperationOP	clone () const override
void	alter_rotamer_sets (core::pose::Pose const &, core::scoring::ScoreFunction const &, core::pack::task::PackerTask const &ptask, utility::graph::GraphCOP, core::pack::rotamer_set::RotamerSets &rotamer_sets) override
Public Member Functions inherited from core::pack::rotamer_set::RotamerSetsOperation
	RotamerSetsOperation ()
	~RotamerSetsOperation () override

Private Attributes
bool	allow_even_trades_
	Allow residues that satisfy an unsat and create a new unsatisfiable one. More...
core::Real	atomic_depth_probe_radius_
core::Real	atomic_depth_resolution_
core::Real	atomic_depth_cutoff_
core::Real	minimum_hbond_energy_
core::scoring::ScoreFunctionOP	scorefxn_sc_
core::scoring::ScoreFunctionOP	scorefxn_bb_

Constructor & Destructor Documentation

protocols::task_operations::PruneBuriedUnsats_RotamerSetsOperation::PruneBuriedUnsats_RotamerSetsOperation	(	bool	allow_even_trades,
		core::Real	atomic_depth_probe_radius,
		core::Real	atomic_depth_resolution,
		core::Real	atomic_depth_cutoff,
		core::Real	minimum_hbond_energy,
		core::scoring::ScoreFunctionOP	scorefxn_sc,
		core::scoring::ScoreFunctionOP	scorefxn_bb
	)

protocols::task_operations::PruneBuriedUnsats_RotamerSetsOperation::~PruneBuriedUnsats_RotamerSetsOperation ( )

overridedefault

Member Function Documentation

void protocols::task_operations::PruneBuriedUnsats_RotamerSetsOperation::alter_rotamer_sets ( core::pose::Pose const &  pose, core::scoring::ScoreFunction const &  , core::pack::task::PackerTask const &  ptask, utility::graph::GraphCOP  , core::pack::rotamer_set::RotamerSets &  rotamer_sets  )

overridevirtual

Implements core::pack::rotamer_set::RotamerSetsOperation.

References allow_even_trades_, core::chemical::ResidueTypeBase::atom_type_set(), core::scoring::atomic_depth::atomic_depth(), atomic_depth_cutoff_, atomic_depth_probe_radius_, atomic_depth_resolution_, core::pack::hbonds::hbond_graph_from_partial_rotsets(), core::scoring::hbonds::graph::HBondEdge::hbonds(), minimum_hbond_energy_, core::pack::rotamer_set::RotamerSets::nrotamers(), core::scoring::hbonds::graph::HBondNode::polar_sc_atoms_not_satisfied_by_background(), core::pose::Pose::residue(), core::pack::rotamer_set::RotamerSets::rotamer_set_for_residue(), scorefxn_bb_, scorefxn_sc_, core::pose::Pose::size(), protocols::task_operations::TR(), core::conformation::Residue::type(), and core::pack::rotamer_set::RotamerSets::update_offset_data().

core::pack::rotamer_set::RotamerSetsOperationOP protocols::task_operations::PruneBuriedUnsats_RotamerSetsOperation::clone ( ) const

overridevirtual

Implements core::pack::rotamer_set::RotamerSetsOperation.

Member Data Documentation

bool protocols::task_operations::PruneBuriedUnsats_RotamerSetsOperation::allow_even_trades_

private

Allow residues that satisfy an unsat and create a new unsatisfiable one.

Referenced by alter_rotamer_sets().

core::Real protocols::task_operations::PruneBuriedUnsats_RotamerSetsOperation::atomic_depth_cutoff_

private

Referenced by alter_rotamer_sets().

core::Real protocols::task_operations::PruneBuriedUnsats_RotamerSetsOperation::atomic_depth_probe_radius_

private

Referenced by alter_rotamer_sets().

core::Real protocols::task_operations::PruneBuriedUnsats_RotamerSetsOperation::atomic_depth_resolution_

private

Referenced by alter_rotamer_sets().

core::Real protocols::task_operations::PruneBuriedUnsats_RotamerSetsOperation::minimum_hbond_energy_

private

Referenced by alter_rotamer_sets().

core::scoring::ScoreFunctionOP protocols::task_operations::PruneBuriedUnsats_RotamerSetsOperation::scorefxn_bb_

private

Referenced by alter_rotamer_sets().

core::scoring::ScoreFunctionOP protocols::task_operations::PruneBuriedUnsats_RotamerSetsOperation::scorefxn_sc_

private

Referenced by alter_rotamer_sets().

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The documentation for this class was generated from the following files:

• src/protocols/task_operations/PruneBuriedUnsatsOperation.hh
• src/protocols/task_operations/PruneBuriedUnsatsOperation.cc