protocols::loophash::LocalInserter_SimpleMin Class Reference

#include <LocalInserter.hh>

Inheritance diagram for protocols::loophash::LocalInserter_SimpleMin:

Collaboration diagram for protocols::loophash::LocalInserter_SimpleMin:

Public Member Functions
	LocalInserter_SimpleMin ()
void	scorefxn_rama_cst (core::scoring::ScoreFunction scorefxn)
	set the score function for the first round of minimization during a loophash insert More...
void	scorefxn_cen_cst (core::scoring::ScoreFunction scorefxn)
	set the score function for the second round of minimization during a loophash insert More...
virtual core::Real	make_local_bb_change (core::pose::Pose &start_pose, const core::pose::Pose &original_pose, const protocols::loophash::BackboneSegment &new_bs, core::Size res_pos)
virtual core::Real	make_local_bb_change_close_gaps (core::pose::Pose &start_pose, const core::pose::Pose &original_pose, const protocols::loophash::BackboneSegment &new_bs, core::Size res_pos)
virtual core::Real	make_local_bb_change_include_cut (core::pose::Pose &start_pose, const core::pose::Pose &original_pose, const protocols::loophash::BackboneSegment &new_bs, core::Size res_pos)
Public Member Functions inherited from protocols::loophash::LocalInserter
virtual	~LocalInserter ()
	Automatically generated virtual destructor for class deriving directly from ReferenceCount. More...
	LocalInserter ()

Private Member Functions
void	set_default_score_functions ()

Private Attributes
core::scoring::ScoreFunction	scorefxn_rama_cst_
core::optimization::MinimizerOptions	options_
core::scoring::ScoreFunction	scorefxn_cen_cst_
core::optimization::MinimizerOptions	options2_

Detailed Description

Definition at line 86 of file LocalInserter.hh.

Constructor & Destructor Documentation

protocols::loophash::LocalInserter_SimpleMin::LocalInserter_SimpleMin ( )

inline

Definition at line 88 of file LocalInserter.hh.

References set_default_score_functions().

Member Function Documentation

core::Real protocols::loophash::LocalInserter_SimpleMin::make_local_bb_change ( core::pose::Pose &  start_pose, const core::pose::Pose &  original_pose, const protocols::loophash::BackboneSegment &  new_bs, core::Size  res_pos  )

virtual

Implements protocols::loophash::LocalInserter.

Definition at line 68 of file LocalInserter.cc.

References protocols::loops::add_coordinate_constraints_to_pose(), protocols::loops::Loops::add_loop(), protocols::loophash::BackboneSegment::apply_to_pose(), core::scoring::CA_rmsd(), protocols::loophash::BackboneSegment::length(), core::kinematics::MoveMap::set_bb(), core::pose::set_ss_from_phipsi(), core::pose::setPoseExtraScores(), core::TR(), and core::pose::transfer_phi_psi().

core::Real protocols::loophash::LocalInserter_SimpleMin::make_local_bb_change_close_gaps ( core::pose::Pose &  start_pose, const core::pose::Pose &  original_pose, const protocols::loophash::BackboneSegment &  new_bs, core::Size  res_pos  )

virtual

Implements protocols::loophash::LocalInserter.

Definition at line 127 of file LocalInserter.cc.

References protocols::loops::add_coordinate_constraints_to_pose(), protocols::loophash::BackboneSegment::apply_to_pose(), core::scoring::CA_rmsd(), core::pose::Pose::conformation(), protocols::relax::delete_virtual_residues(), core::conformation::insert_ideal_bonds_at_polymer_junction(), protocols::loophash::BackboneSegment::length(), core::kinematics::MoveMap::set_bb(), core::pose::set_ss_from_phipsi(), core::pose::setPoseExtraScores(), core::pose::Pose::total_residue(), core::TR(), and core::pose::transfer_phi_psi().

core::Real protocols::loophash::LocalInserter_SimpleMin::make_local_bb_change_include_cut ( core::pose::Pose &  start_pose, const core::pose::Pose &  original_pose, const protocols::loophash::BackboneSegment &  new_bs, core::Size  res_pos  )

virtual

Implements protocols::loophash::LocalInserter.

Definition at line 188 of file LocalInserter.cc.

References protocols::loops::add_coordinate_constraints_to_pose(), protocols::loops::Loops::add_loop(), protocols::loophash::BackboneSegment::apply_to_pose(), core::scoring::CA_rmsd(), protocols::loophash::BackboneSegment::length(), core::pose::set_ss_from_phipsi(), core::pose::setPoseExtraScores(), core::TR(), and core::pose::transfer_phi_psi().

void protocols::loophash::LocalInserter_SimpleMin::scorefxn_cen_cst

(

core::scoring::ScoreFunction

scorefxn)

set the score function for the second round of minimization during a loophash insert

Definition at line 61 of file LocalInserter.cc.

void protocols::loophash::LocalInserter_SimpleMin::scorefxn_rama_cst

(

core::scoring::ScoreFunction

scorefxn)

set the score function for the first round of minimization during a loophash insert

Definition at line 52 of file LocalInserter.cc.

void protocols::loophash::LocalInserter_SimpleMin::set_default_score_functions ( )

private

Definition at line 225 of file LocalInserter.cc.

References core::scoring::cbeta, core::scoring::cenpack, core::scoring::coordinate_constraint, core::scoring::env, core::scoring::hs_pair, core::scoring::pair, core::scoring::rama, core::scoring::rg, core::scoring::rsigma, core::scoring::sheet, core::scoring::ss_pair, and core::scoring::vdw.

Referenced by LocalInserter_SimpleMin().

Member Data Documentation

core::optimization::MinimizerOptions protocols::loophash::LocalInserter_SimpleMin::options2_

private

Definition at line 146 of file LocalInserter.hh.

core::optimization::MinimizerOptions protocols::loophash::LocalInserter_SimpleMin::options_

private

Definition at line 143 of file LocalInserter.hh.

core::scoring::ScoreFunction protocols::loophash::LocalInserter_SimpleMin::scorefxn_cen_cst_

private

Definition at line 145 of file LocalInserter.hh.

core::scoring::ScoreFunction protocols::loophash::LocalInserter_SimpleMin::scorefxn_rama_cst_

private

Definition at line 142 of file LocalInserter.hh.

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

• src/protocols/loophash/LocalInserter.hh
• src/protocols/loophash/LocalInserter.cc