MinPackMin Class Reference

#include <min_pack_min.hh>

Public Member Functions
	MinPackMin ()
void	rigid_body_minimization (core::pose::Pose &pose)
void	backbone_minimization (core::pose::Pose &pose)
void	pack_sidechains (core::pose::Pose &pose)
void	set_density_wt (core::Real wt)

Public Attributes
IntegerVectorOptionKey const	rbjump ("rbjump")
BooleanOptionKey const	pack_first ("pack_first")
BooleanOptionKey const	no_rbmin ("no_rbmin")
BooleanOptionKey const	min_all_jumps ("min_all_jumps")

Private Attributes
core::Real	density_wt_

Constructor & Destructor Documentation

MinPackMin()

MinPackMin::MinPackMin

(

)

References set_density_wt().

Member Function Documentation

backbone_minimization()

void MinPackMin::backbone_minimization

(

core::pose::Pose &

pose

)

References bbmin, pyrosetta.io::create_score_function, density_wt_, create_a3b_hbs::i, predPRE::label, vancomycin::min_mover, basic::options::OptionKeys::in::file::movemap, beta_nonlocal::pose, rbmin, remove_all_virtual_residues(), and oop_conformations::scorefxn.

Referenced by main().

pack_sidechains()

void MinPackMin::pack_sidechains

(

core::pose::Pose &

pose

)

References hbs_creator::apply(), pyrosetta.io::create_score_function, density_wt_, pack_sc, beta_nonlocal::pose, remove_all_virtual_residues(), oop_conformations::scorefxn, vancomycin::task, and test.G200_Module_Region::tf.

Referenced by main().

rigid_body_minimization()

void MinPackMin::rigid_body_minimization

(

core::pose::Pose &

pose

)

References density_wt_, test.T009_Exceptions::e, create_a3b_hbs::i, predPRE::label, vancomycin::min_mover, basic::options::OptionKeys::in::file::movemap, beta_nonlocal::pose, rbmin, remove_all_virtual_residues(), and oop_conformations::scorefxn.

Referenced by main().

set_density_wt()

void MinPackMin::set_density_wt ( core::Real  wt )

inline

References density_wt_, and orn_macrocycle::wt.

Referenced by MinPackMin().

Member Data Documentation

density_wt_

core::Real MinPackMin::density_wt_

private

Referenced by backbone_minimization(), pack_sidechains(), rigid_body_minimization(), and set_density_wt().

min_all_jumps

BooleanOptionKey const MinPackMin::min_all_jumps("min_all_jumps")

Referenced by main(), and MinPackMinMover::MinPackMinMover().

no_rbmin

BooleanOptionKey const MinPackMin::no_rbmin("no_rbmin")

Referenced by main(), and MinPackMinMover::MinPackMinMover().

pack_first

BooleanOptionKey const MinPackMin::pack_first("pack_first")

Referenced by main(), and MinPackMinMover::MinPackMinMover().

rbjump

IntegerVectorOptionKey const MinPackMin::rbjump("rbjump")

Referenced by main(), and MinPackMinMover::MinPackMinMover().

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

• src/apps/pilot/rayyrw/min_pack_min.hh
• src/apps/pilot/stranges/min_pack_min.cc