SSM_energies Class Reference

Inheritance diagram for SSM_energies:

Public Member Functions
	SSM_energies ()
void	optimization_loop (core::pose::Pose &pose, core::scoring::ScoreFunctionOP sf, core::pack::task::PackerTaskOP ptask, core::kinematics::MoveMapOP mm)
void	apply (core::pose::Pose &pose) override
std::string	get_name () const override
	SSM_energies ()
void	optimization_loop (core::pose::Pose &pose, core::scoring::ScoreFunctionOP sf, core::pack::task::PackerTaskOP ptask, core::kinematics::MoveMapOP mm)
void	apply (core::pose::Pose &pose) override
std::string	get_name () const override

Private Attributes
core::scoring::ScoreFunctionOP	sfxn_
core::pack::task::PackerTaskOP	ptask_
core::Real	K_
core::Real	NCYC_
core::Real	dist_

Constructor & Destructor Documentation

SSM_energies() [1/2]

SSM_energies::SSM_energies ( )

inline

References basic::options::option, basic::options::OptionKeys::corrections::score::p_aa_pp, and basic::options::OptionKeys::remodel::rama.

SSM_energies() [2/2]

SSM_energies::SSM_energies ( )

inline

References basic::options::option, basic::options::OptionKeys::corrections::score::p_aa_pp, and basic::options::OptionKeys::remodel::rama.

Member Function Documentation

apply() [1/2]

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

inlineoverride

References basic::options::OptionKeys::in::file::dssp, get_interface_residues(), get_neighbor_residues(), interface, beta_nonlocal::mm, create_a3b_hbs::nres, basic::options::option, basic::options::OptionKeys::corrections::score::p_aa_pp, beta_nonlocal::pose, basic::options::OptionKeys::packing::resfile, vancomycin::task, TR, basic::options::OptionKeys::inout::dbms::user, and basic::options::OptionKeys::sc::verbose.

Referenced by pyrosetta.distributed.tasks.rosetta_scripts.BaseRosettaScriptsTask::execute().

apply() [2/2]

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

inlineoverride

References basic::options::OptionKeys::msd::debug, basic::options::OptionKeys::dna::dna, basic::options::OptionKeys::in::file::dssp, get_interface_residues(), get_neighbor_residues(), interface, beta_nonlocal::mm, create_a3b_hbs::nres, basic::options::option, basic::options::OptionKeys::corrections::score::p_aa_pp, beta_nonlocal::pose, create_a3b_hbs::prefix, basic::options::OptionKeys::out::prefix, basic::options::OptionKeys::packing::resfile, vancomycin::task, numeric::interpolation::to_string(), TR, basic::options::OptionKeys::inout::dbms::user, and basic::options::OptionKeys::sc::verbose.

Referenced by pyrosetta.distributed.tasks.rosetta_scripts.BaseRosettaScriptsTask::execute().

get_name() [1/2]

std::string SSM_energies::get_name ( ) const

inlineoverride

get_name() [2/2]

std::string SSM_energies::get_name ( ) const

inlineoverride

optimization_loop() [1/2]

void SSM_energies::optimization_loop ( core::pose::Pose &  pose, core::scoring::ScoreFunctionOP  sf, core::pack::task::PackerTaskOP  ptask, core::kinematics::MoveMapOP  mm  )

inline

References test.T009_Exceptions::e, beta_nonlocal::mm, options, beta_nonlocal::pose, and basic::options::OptionKeys::out::sf.

optimization_loop() [2/2]

void SSM_energies::optimization_loop ( core::pose::Pose &  pose, core::scoring::ScoreFunctionOP  sf, core::pack::task::PackerTaskOP  ptask, core::kinematics::MoveMapOP  mm  )

inline

References test.T009_Exceptions::e, beta_nonlocal::mm, options, beta_nonlocal::pose, and basic::options::OptionKeys::out::sf.

Member Data Documentation

dist_

core::Real SSM_energies::dist_

private

K_

core::Real SSM_energies::K_

private

NCYC_

core::Real SSM_energies::NCYC_

private

ptask_

core::pack::task::PackerTaskOP SSM_energies::ptask_

private

sfxn_

core::scoring::ScoreFunctionOP SSM_energies::sfxn_

private

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

• src/apps/pilot/brunette/calc_ssm_energies_with_structure_profile.cc
• src/apps/pilot/frank/calc_ssm_energies.cc