CoupledMovesProtocol Class Reference

Inheritance diagram for CoupledMovesProtocol:

Public Member Functions
	CoupledMovesProtocol ()
	CoupledMovesProtocol (CoupledMovesProtocol const &cmp)
virtual void	apply (core::pose::Pose &pose)
std::string	get_name () const
virtual protocols::moves::MoverOP	clone () const
virtual protocols::moves::MoverOP	fresh_instance () const
core::Real	compute_ligand_score_bonus (core::pose::PoseOP pose, core::Size ligand_resnum, core::Real ligand_weight)

Private Attributes
core::scoring::ScoreFunctionOP	score_fxn_
core::pack::task::TaskFactoryOP	main_task_factory_

Detailed Description

Definition at line 138 of file coupled_moves.cc.

Constructor & Destructor Documentation

CoupledMovesProtocol::CoupledMovesProtocol

(

)

Definition at line 165 of file coupled_moves.cc.

References main_task_factory_, basic::options::OptionKeys::backrub::mm_bend_weight, option, options, backrub::pivot_atoms(), packing::resfile(), score_fxn_, app.delta_score_per_mutation::task, and basic::options::OptionKeys::inout::dbms::user.

Referenced by clone().

CoupledMovesProtocol::CoupledMovesProtocol

(

CoupledMovesProtocol const &

cmp

)

Definition at line 197 of file coupled_moves.cc.

Member Function Documentation

void CoupledMovesProtocol::apply ( core::pose::Pose &  pose )

virtual

Definition at line 230 of file coupled_moves.cc.

References compute_ligand_score_bonus(), clean_pdb_keep_ligand::count, basic::options::OptionKeys::cutoutdomain::end, ObjexxFCL::index(), basic::options::OptionKeys::ddg::initial_repack, main_task_factory_, basic::options::OptionKeys::mc::mc, basic::options::OptionKeys::backrub::mc_kt, basic::options::OptionKeys::min_pack, basic::options::OptionKeys::MonteCarlo::MonteCarlo, basic::options::OptionKeys::backrub::ntrials, option, options, basic::options::OptionKeys::out::output_tag, loops::pack, out::pdb_gz(), numeric::random::random_range(), clean_pdb_keep_ligand::resnum, score_fxn_, basic::options::OptionKeys::relax::sequence, app.delta_score_per_mutation::task, TR(), basic::options::OptionKeys::backrub::trajectory, basic::options::OptionKeys::backrub::trajectory_gz, basic::options::OptionKeys::backrub::trajectory_stride, and numeric::random::uniform().

Referenced by src.protocols.jd2.RosettaScriptWrapper::apply_to_failure().

virtual protocols::moves::MoverOP CoupledMovesProtocol::clone ( ) const

inlinevirtual

Definition at line 146 of file coupled_moves.cc.

References CoupledMovesProtocol().

core::Real CoupledMovesProtocol::compute_ligand_score_bonus	(	core::pose::PoseOP	pose,
		core::Size	ligand_resnum,
		core::Real	ligand_weight
	)

Definition at line 202 of file coupled_moves.cc.

References basic::options::OptionKeys::frags::j, and basic::options::OptionKeys::optE::weights.

Referenced by apply().

virtual protocols::moves::MoverOP CoupledMovesProtocol::fresh_instance ( ) const

inlinevirtual

Definition at line 150 of file coupled_moves.cc.

std::string CoupledMovesProtocol::get_name ( ) const

inline

Definition at line 144 of file coupled_moves.cc.

Member Data Documentation

core::pack::task::TaskFactoryOP CoupledMovesProtocol::main_task_factory_

private

Definition at line 161 of file coupled_moves.cc.

Referenced by apply(), and CoupledMovesProtocol().

core::scoring::ScoreFunctionOP CoupledMovesProtocol::score_fxn_

private

Definition at line 160 of file coupled_moves.cc.

Referenced by apply(), and CoupledMovesProtocol().

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

• src/apps/public/coupled_moves/coupled_moves.cc