core::pack::RTMin Class Reference

#include <rtmin.hh>

Collaboration diagram for core::pack::RTMin:

Public Member Functions
	RTMin ()
	RTMin (bool minimize_ligand_chis, bool minimize_ligand_jumps)
	~RTMin ()
void	set_nonideal (bool nonideal_in)
void	set_cartesian (bool cartesian_in)
void	rtmin (pose::Pose &pose, scoring::ScoreFunction const &sfxn, task::PackerTaskOP input_task) const

Private Attributes
bool	minimize_ligand_chis_
bool	minimize_ligand_jumps_
bool	nonideal_
bool	cartesian_

Detailed Description

Definition at line 40 of file rtmin.hh.

Constructor & Destructor Documentation

core::pack::RTMin::RTMin

(

)

Definition at line 111 of file rtmin.cc.

core::pack::RTMin::RTMin	(	bool	minimize_ligand_chis,
		bool	minimize_ligand_jumps
	)

Definition at line 118 of file rtmin.cc.

core::pack::RTMin::~RTMin

(

)

Definition at line 126 of file rtmin.cc.

Member Function Documentation

void core::pack::RTMin::rtmin	(	pose::Pose &	pose,
		scoring::ScoreFunction const &	scfxn,
		task::PackerTaskOP	input_task
	)		const

Don't look, it's not pretty!

Definition at line 130 of file rtmin.cc.

References core::scoring::ScoreFunction::all_methods(), cartesian_, core::pack::compare_mingraph_and_energy_graph(), core::graph::Node::const_edge_list_begin(), core::graph::Node::const_edge_list_end(), core::pack::create_packer_graph(), core::kinematics::distance(), core::graph::Node::edge_list_end(), core::pose::Pose::energies(), core::graph::Edge::get_node(), core::scoring::Energies::long_range_container(), core::scoring::ScoreFunction::long_range_energies_begin(), core::scoring::ScoreFunction::long_range_energies_end(), core::optimization::MinimizerOptions::max_iter(), nonideal_, core::scoring::MinimizationEdge::reinitialize_active_energy_methods(), core::pack::reinitialize_mingraph_neighborhood_for_residue(), core::scoring::ScoreFunction::reinitialize_minnode_for_residue(), core::pack::repackable_residues_dup(), core::pose::Pose::replace_residue(), core::pose::Pose::residue(), core::pack::rtmin_RG(), core::scoring::ScoreFunction::setup_for_lr2benmeth_minimization_for_respair(), core::scoring::ScoreFunction::setup_for_minimizing_for_node(), core::scoring::ScoreFunction::setup_for_minimizing_sr2b_enmeths_for_minedge(), core::optimization::MinimizerOptions::silent(), core::pose::Pose::total_residue(), core::scoring::methods::ws, protocols::kinmatch::xyz(), and core::conformation::Residue::xyz().

Referenced by protocols::simple_moves::EnergyCutRotamerTrialsMinMover::apply(), and protocols::rotamer_recovery::RRProtocolRTMin::run().

void core::pack::RTMin::set_cartesian ( bool  cartesian_in)

inline

Definition at line 54 of file rtmin.hh.

References cartesian_.

Referenced by protocols::rotamer_recovery::RRProtocolRTMin::run().

void core::pack::RTMin::set_nonideal ( bool  nonideal_in)

inline

Definition at line 53 of file rtmin.hh.

References nonideal_.

Referenced by protocols::simple_moves::RotamerTrialsMinMover::apply(), and protocols::rotamer_recovery::RRProtocolRTMin::run().

Member Data Documentation

bool core::pack::RTMin::cartesian_

private

Definition at line 67 of file rtmin.hh.

Referenced by rtmin(), and set_cartesian().

bool core::pack::RTMin::minimize_ligand_chis_

private

Definition at line 64 of file rtmin.hh.

bool core::pack::RTMin::minimize_ligand_jumps_

private

Definition at line 65 of file rtmin.hh.

bool core::pack::RTMin::nonideal_

private

Definition at line 66 of file rtmin.hh.

Referenced by rtmin(), and set_nonideal().

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

• src/core/pack/rtmin.hh
• src/core/pack/rtmin.cc