MetalSiteFinderMover Class Reference

Inheritance diagram for MetalSiteFinderMover:

Public Member Functions
	MetalSiteFinderMover ()
	MetalSiteFinderMover (MetalSiteFinderMover const &other)
protocols::moves::MoverOP	clone () const override
protocols::moves::MoverOP	fresh_instance () const override
void	initialize_from_options ()
void	apply (core::pose::Pose &pose) override
std::string	get_name () const override

Private Attributes
core::Size	max_res_span_ = 20
core::Size	min_total_coord_atoms_ = 5
core::Size	min_local_coord_atoms_ = 3
core::Size	min_coord_res_ = 3
core::Size	max_loop_size_ = 12
std::string	allowed_elements_
utility::vector1< std::string >	allowed_elements_list_
bool	strict_ = false
core::Real	distance_cutoff_ = 3.5

Constructor & Destructor Documentation

MetalSiteFinderMover::MetalSiteFinderMover

(

)

MetalSiteFinderMover::MetalSiteFinderMover

(

MetalSiteFinderMover const &

other

)

Member Function Documentation

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

override

References allowed_elements_, allowed_elements_list_, local::append_nonlocal_residues, utility::arg_max(), utility::arg_min(), erraser_single_res_analysis::data, utility::graph::UEVertex< V, E >::data(), distance_cutoff_, utility::graph::UEVertex< V, E >::edge_exists(), local::helices_only, test.T150_PyMOL_Integration::i, initialize_from_options(), utility::max(), max_loop_size_, max_res_span_, local::metal_type, min_coord_res_, min_local_coord_atoms_, min_total_coord_atoms_, basic::options::option, local::output_name, demo.D010_Pose_structure::pose, local::require_bordering_ss, runtime_assert, local::secstruct, basic::options::OptionKeys::mh::match::ss, strict_, TR, and value.

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

protocols::moves::MoverOP MetalSiteFinderMover::clone ( ) const

override

protocols::moves::MoverOP MetalSiteFinderMover::fresh_instance ( ) const

override

std::string MetalSiteFinderMover::get_name ( ) const

override

void MetalSiteFinderMover::initialize_from_options

(

)

References local::allowed_elements, allowed_elements_, allowed_elements_list_, distance_cutoff_, local::max_loop_size, max_loop_size_, local::max_res_span, max_res_span_, local::metal_ligand_distance_cutoff, local::min_coord_res, min_coord_res_, local::min_local_coord_atoms, min_local_coord_atoms_, local::min_total_coord_atoms, min_total_coord_atoms_, basic::options::option, strict_, local::strict_ss_changes, and utility::string_split_simple().

Referenced by apply().

Member Data Documentation

std::string MetalSiteFinderMover::allowed_elements_

private

Referenced by apply(), and initialize_from_options().

utility::vector1< std::string > MetalSiteFinderMover::allowed_elements_list_

private

Referenced by apply(), and initialize_from_options().

core::Real MetalSiteFinderMover::distance_cutoff_ = 3.5

private

Referenced by apply(), and initialize_from_options().

core::Size MetalSiteFinderMover::max_loop_size_ = 12

private

Referenced by apply(), and initialize_from_options().

core::Size MetalSiteFinderMover::max_res_span_ = 20

private

Referenced by apply(), and initialize_from_options().

core::Size MetalSiteFinderMover::min_coord_res_ = 3

private

Referenced by apply(), and initialize_from_options().

core::Size MetalSiteFinderMover::min_local_coord_atoms_ = 3

private

Referenced by apply(), and initialize_from_options().

core::Size MetalSiteFinderMover::min_total_coord_atoms_ = 5

private

Referenced by apply(), and initialize_from_options().

bool MetalSiteFinderMover::strict_ = false

private

Referenced by apply(), and initialize_from_options().

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

• src/apps/public/sewing/ligand_sewing_tools/metal_site_finder.cc