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Rosetta 3.5
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#include <SlidingWindowLoopClosure.hh>


Public Member Functions | |
| SlidingWindowLoopClosure (core::fragment::FragSetCOP fragset, core::scoring::ScoreFunctionOP scorefxn, core::kinematics::MoveMapCOP movemap) | |
| constructor: supply fragsets for fragment moves More... | |
| SlidingWindowLoopClosure () | |
| ~SlidingWindowLoopClosure () | |
| virtual void | apply (core::pose::Pose &more_cut, core::pose::Pose &less_cut) |
| virtual std::string | get_name () const |
| Each derived class must specify its name. The class name. More... | |
| virtual void | sample_loops (core::pose::Pose &more_cut, core::pose::Pose &less_cut) |
| virtual void | select_final_loop (core::pose::Pose &more_cut, core::pose::Pose &less_cut) |
| virtual void | apply (core::pose::Pose &more_cut) |
| core::fragment::FragSetCOP | closure_fragments () const |
| void | keep_fragments (bool setting=true) |
| void | output_debug_structure (core::pose::Pose &pose, std::string prefix) |
| core::kinematics::MoveMap const & | movemap () const |
| void | movemap (core::kinematics::MoveMapCOP movemap) |
| core::scoring::ScoreFunction const & | scorefxn () const |
| void | scorefxn (core::scoring::ScoreFunctionOP sfxn) |
| void | fragments (core::fragment::FragSetCOP frags) |
| void | scored_frag_cycle_ratio (core::Real setting) |
| void | short_frag_cycle_ratio (core::Real setting) |
| void | set_bIdealLoopClosing (bool setting) |
| bool | bIdealLoopClosing () const |
| void | set_chainbreak_max (core::Real setting) |
| void | set_evaluation (evaluation::MetaPoseEvaluatorOP ev) |
| void | set_loop (Loop const &loop_in) |
| Loop | determine_loop (core::pose::Pose const &more_cut, core::pose::Pose &less_cut) |
Public Member Functions inherited from protocols::moves::Mover | |
| Mover () | |
| virtual | ~Mover () |
| virtual MoverSP | create () |
| virtual void | apply (core::io::serialization::PipeMap &pmap) |
| virtual void | parse_state (SerializableState const &state) |
| virtual void | parse_def (utility::lua::LuaObject const &def, utility::lua::LuaObject const &score_fxns, utility::lua::LuaObject const &tasks, MoverCacheSP cache) |
| virtual void | save_state (SerializableState &state) |
| Mover (std::string const &type_name) | |
| sets the type for a mover; name_ has been removed (2010/05/14) More... | |
| Mover (Mover const &other) | |
| Mover & | operator= (Mover const &other) |
| assignment operator More... | |
| virtual core::Real | last_proposal_density_ratio () |
| std::string const & | type () const |
| std::string | get_current_tag () const |
| A tag is a unique identifier used to identify structures produced by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor. More... | |
| void | set_current_tag (std::string const &new_tag) |
| virtual void | set_input_pose (PoseCOP pose) |
| setter for poses contained for rms More... | |
| virtual void | set_native_pose (PoseCOP pose) |
| setter for native poses contained for rms -— we should get rid of this method? it is widely used, but a bit unsafe More... | |
| PoseCOP | get_input_pose () const |
| PoseCOP | get_native_pose () const |
| virtual void | test_move (Pose &pose) |
| : Unit test support function. Apply one move to a given pose. Allows extra test specific functions to be called before applying More... | |
| void | type (const std::string &type_in) |
| virtual MoverOP | clone () const |
| clone has to be overridden only if clone invocation is expected. More... | |
| virtual void | parse_my_tag (TagPtr const tag, DataMap &data, Filters_map const &filters, Movers_map const &movers, Pose const &pose) |
| Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More... | |
| std::string | get_type () const |
| MoverStatus | get_last_move_status () const |
| end parser interface, start Job Distributor interface///////////// More... | |
| void | reset_status () |
| resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s. More... | |
| virtual core::pose::PoseOP | get_additional_output () |
| Mechanism by which a mover may return multiple output poses from a single input pose. More... | |
| virtual void | clear_info () |
| Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file. More... | |
| virtual Strings & | info () |
| non-const accessor More... | |
| virtual Strings const & | info () const |
| const accessor More... | |
| virtual bool | reinitialize_for_each_job () const |
| this function informs the job distributor (august 08 vintage) whether this object needs to be freshly regenerated on each use. More... | |
| virtual bool | reinitialize_for_new_input () const |
| this function informs the job distributor (august 08 vintage) whether this object needs to be regenerated when the input pose is about to change (for example, if the mover has special code on the first apply() that is only valid for that one input pose). More... | |
| virtual MoverOP | fresh_instance () const |
| this is like clone(), except it generates a new mover object freshly created with the default ctor. This function should be pure virtual but that would disrupt the code base; MAKE SURE YOU DEFINE IT if you want to have your mover be a protocol handed to the job distributor (august 08 vintage). More... | |
| void | set_current_job (protocols::jobdist::BasicJobCOP job) |
| jobdist::BasicJobCOP | get_current_job () const |
Static Public Member Functions | |
| static void | setPoseExtraScores (core::pose::Pose &pose) |
Static Public Member Functions inherited from protocols::moves::Mover | |
| static std::string | name () |
| static void | register_options () |
| overload this static method if you access options within the mover. these options will end up in -help of your application if users of this mover call register_options. do this recursively! if you use movers within your mover, call their register_options in your register_options() method. More... | |
Protected Types | |
| typedef std::list< std::pair < core::Real, Loop > > | WindowList |
Protected Member Functions | |
| void | generate_window_list (Size loop_size, WindowList &window_list) const |
| void | set_defaults () |
| void | setup_frag_scorefxn (core::scoring::ScoreFunction &scorefxn) |
| Size | process_fragments (core::fragment::FrameList &frame_in, core::pose::Pose const &more_cut, core::pose::Pose const &loop_pose) |
| bool | bQuickTest () const |
| core::Real | filter_score (core::pose::Pose &pose) |
| return the score used for filtering ( scorefxn_ + filter_cst_weight_ * filter_cst_ ) More... | |
Protected Member Functions inherited from protocols::moves::Mover | |
| void | set_last_move_status (MoverStatus status) |
| nonvirtual setter for MoverStatus last_status_. Protected means that only the mover itself will be able to change its own status. The job distributor (august 08 vintage) is aware of status set with this function and will do what the MoverStatus says. More... | |
Additional Inherited Members | |
Public Types inherited from protocols::moves::Mover | |
| typedef utility::tag::TagPtr | TagPtr |
| typedef core::pose::Pose | Pose |
| typedef core::pose::PoseCOP | PoseCOP |
| typedef protocols::filters::Filters_map | Filters_map |
| typedef std::list< std::string > | Strings |
Definition at line 72 of file SlidingWindowLoopClosure.hh.
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Definition at line 175 of file SlidingWindowLoopClosure.hh.
| protocols::loops::loop_closure::ccd::SlidingWindowLoopClosure::SlidingWindowLoopClosure | ( | core::fragment::FragSetCOP | fragset, |
| core::scoring::ScoreFunctionOP | scorefxn, | ||
| core::kinematics::MoveMapCOP | movemap | ||
| ) |
constructor: supply fragsets for fragment moves
Definition at line 104 of file SlidingWindowLoopClosure.cc.
References set_defaults().
| protocols::loops::loop_closure::ccd::SlidingWindowLoopClosure::SlidingWindowLoopClosure | ( | ) |
Definition at line 116 of file SlidingWindowLoopClosure.cc.
References set_defaults().
| protocols::loops::loop_closure::ccd::SlidingWindowLoopClosure::~SlidingWindowLoopClosure | ( | ) |
Definition at line 125 of file SlidingWindowLoopClosure.cc.
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Definition at line 291 of file SlidingWindowLoopClosure.cc.
References protocols::loops::add_single_cutpoint_variant(), closure_fragments(), protocols::evaluation::evaluate_pose(), evaluator_, core::pose::Pose::fold_tree(), loop_, protocols::loops::remove_cutpoint_variants(), sample_loops(), scorefxn_, select_final_loop(), setPoseExtraScores(), setup_frag_scorefxn(), and protocols::loops::loop_closure::ccd::tr().
Referenced by apply().
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Implements protocols::moves::Mover.
Definition at line 269 of file SlidingWindowLoopClosure.cc.
References apply(), and bIdealLoopClosing().
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Definition at line 156 of file SlidingWindowLoopClosure.hh.
References bIdealLoopClosing_.
Referenced by apply(), and process_fragments().
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Definition at line 216 of file SlidingWindowLoopClosure.hh.
References bQuickTest_.
Referenced by protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::sample_loops(), and sample_loops().
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Definition at line 108 of file SlidingWindowLoopClosure.hh.
References closure_fragments_.
Referenced by apply(), protocols::loops::loop_closure::ccd::FASelectSlidingWindowLoopClosure::select_final_loop(), and select_final_loop().
| Loop protocols::loops::loop_closure::ccd::SlidingWindowLoopClosure::determine_loop | ( | core::pose::Pose const & | more_cut, |
| core::pose::Pose & | less_cut | ||
| ) |
Definition at line 174 of file SlidingWindowLoopClosure.cc.
References core::pose::Pose::fold_tree(), core::kinematics::MoveMap::get_bb(), movemap(), and protocols::loops::loop_closure::ccd::tr().
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return the score used for filtering ( scorefxn_ + filter_cst_weight_ * filter_cst_ )
Definition at line 497 of file SlidingWindowLoopClosure.cc.
References filter_cst_, filter_cst_weight_, and scorefxn_.
Referenced by process_fragments().
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Definition at line 137 of file SlidingWindowLoopClosure.hh.
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Definition at line 604 of file SlidingWindowLoopClosure.cc.
References protocols::loops::Loop::cut(), loop_, ss_info_, protocols::loops::Loop::start(), protocols::loops::Loop::stop(), and protocols::loops::loop_closure::ccd::tr().
Referenced by protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::sample_loops(), and sample_loops().
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Each derived class must specify its name. The class name.
Implements protocols::moves::Mover.
Reimplemented in protocols::loops::loop_closure::ccd::FASelectSlidingWindowLoopClosure, and protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure.
Definition at line 277 of file SlidingWindowLoopClosure.cc.
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Definition at line 112 of file SlidingWindowLoopClosure.hh.
References bKeepFragments_.
Referenced by protocols::loops::loop_closure::ccd::FASelectSlidingWindowLoopClosure::set_defaults().
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Definition at line 120 of file SlidingWindowLoopClosure.hh.
References movemap_.
Referenced by determine_loop(), movemap(), process_fragments(), protocols::loops::loop_closure::ccd::FASelectSlidingWindowLoopClosure::select_final_loop(), and select_final_loop().
| void protocols::loops::loop_closure::ccd::SlidingWindowLoopClosure::movemap | ( | core::kinematics::MoveMapCOP | movemap) |
Definition at line 128 of file SlidingWindowLoopClosure.cc.
| void protocols::loops::loop_closure::ccd::SlidingWindowLoopClosure::output_debug_structure | ( | core::pose::Pose & | pose, |
| std::string | prefix | ||
| ) |
Definition at line 151 of file SlidingWindowLoopClosure.cc.
References protocols::moves::Mover::get_current_job(), protocols::moves::Mover::get_current_tag(), and core::io::silent::SilentFileData::write_silent_struct().
Referenced by protocols::loops::loop_closure::ccd::FASelectSlidingWindowLoopClosure::select_final_loop().
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Definition at line 506 of file SlidingWindowLoopClosure.cc.
References protocols::loops::Loops::add_loop(), best_fragment_, best_score_, bIdealLoopClosing(), core::scoring::CA_rmsd(), core::scoring::chainbreak, chainbreak_max_, closure_fragments_, filter_score(), protocols::moves::Mover::get_native_pose(), core::scoring::linear_chainbreak, loop_, protocols::loops::loop_rmsd(), movemap(), core::scoring::overlap_chainbreak, protocols::loops::loop_closure::ccd::RMSD_FRAG_STORE, protocols::loops::loop_closure::ccd::SCORE_FRAG_STORE, protocols::loops::loop_closure::ccd::tr(), vdw_delta_, protocols::loops::loop_closure::ccd::VDW_FRAG_STORE, and vdw_score_type_.
Referenced by protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::sample_loops(), and sample_loops().
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Reimplemented in protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure.
Definition at line 330 of file SlidingWindowLoopClosure.cc.
References protocols::loops::add_single_cutpoint_variant(), protocols::loops::loop_closure::ccd::ShortLoopClosure::apply(), protocols::loops::loop_closure::ccd::LoopClosure::apply(), protocols::loops::loop_closure::ccd::CcdLoopClosureMover::apply(), best_fragment_, best_score_, bKeepFragments_, bQuickTest(), chainbreak_max_, protocols::loops::loop_closure::ccd::LoopClosure::closure_fragments(), closure_fragments_, protocols::evaluation::evaluate_pose(), evaluator_, core::pose::Pose::fold_tree(), fragset_, generate_window_list(), core::fragment::FragID::is_valid(), loop_, max_loop_size_, min_breakout_good_loops_, min_good_loops_, min_loop_size_, movemap_, process_fragments(), protocols::loops::loop_closure::ccd::LoopClosure::ramp_chainbreak(), protocols::loops::loop_closure::ccd::REALLY_BAD_SCORE(), protocols::loops::remove_cutpoint_variants(), score_delta_, scored_frag_cycle_ratio_, protocols::loops::loop_closure::ccd::LoopClosure::set_cycles(), setup_frag_scorefxn(), short_frag_cycle_ratio_, protocols::loops::Loop::size(), protocols::loops::Loop::start(), protocols::loops::loop_closure::ccd::CcdLoopClosureMover::success(), protocols::loops::loop_closure::ccd::tr(), and vdw_delta_.
Referenced by apply().
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Definition at line 143 of file SlidingWindowLoopClosure.hh.
References scored_frag_cycle_ratio_.
Referenced by protocols::loop_build::LoopMover_SlidingWindow::model_loop().
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Definition at line 127 of file SlidingWindowLoopClosure.hh.
References scorefxn_.
Referenced by protocols::loops::loop_closure::ccd::FASelectSlidingWindowLoopClosure::fascore().
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Definition at line 131 of file SlidingWindowLoopClosure.hh.
References scorefxn_.
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Reimplemented in protocols::loops::loop_closure::ccd::FASelectSlidingWindowLoopClosure.
Definition at line 449 of file SlidingWindowLoopClosure.cc.
References core::fragment::FragID::apply(), best_fragment_, closure_fragments(), core::sequence::end, protocols::moves::Mover::get_current_tag(), core::fragment::FragID::is_valid(), loop_, movemap(), protocols::loops::loop_closure::ccd::SCORE_FRAG_STORE, core::pose::setPoseExtraScores(), protocols::loops::Loop::size(), protocols::loops::loop_closure::ccd::tr(), and protocols::loops::loop_closure::ccd::VDW_FRAG_STORE.
Referenced by apply().
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Definition at line 152 of file SlidingWindowLoopClosure.hh.
References bIdealLoopClosing_.
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Definition at line 160 of file SlidingWindowLoopClosure.hh.
References chainbreak_max_.
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Definition at line 133 of file SlidingWindowLoopClosure.cc.
References bIdealLoopClosing_, bKeepFragments_, bQuickTest_, chainbreak_max_, max_loop_size_, min_breakout_good_loops_, min_good_loops_, min_loop_size_, score_delta_, scored_frag_cycle_ratio_, short_frag_cycle_ratio_, protocols::loops::loop_closure::ccd::tr(), core::scoring::vdw, vdw_delta_, and vdw_score_type_.
Referenced by protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::set_defaults(), and SlidingWindowLoopClosure().
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Definition at line 165 of file SlidingWindowLoopClosure.hh.
References evaluator_.
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Definition at line 168 of file SlidingWindowLoopClosure.hh.
References loop_.
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Definition at line 282 of file SlidingWindowLoopClosure.cc.
References core::pose::setPoseExtraScores().
Referenced by protocols::abinitio::AbrelaxMover::apply(), and apply().
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Definition at line 224 of file SlidingWindowLoopClosure.cc.
References core::scoring::ScoreFunctionFactory::create_score_function(), filter_cst_, filter_cst_weight_, core::scoring::linear_chainbreak, core::scoring::overlap_chainbreak, scorefxn_, and protocols::loops::loop_closure::ccd::tr().
Referenced by apply(), protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::sample_loops(), and sample_loops().
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Definition at line 147 of file SlidingWindowLoopClosure.hh.
References short_frag_cycle_ratio_.
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Definition at line 255 of file SlidingWindowLoopClosure.hh.
Referenced by process_fragments(), protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::sample_loops(), sample_loops(), protocols::loops::loop_closure::ccd::FASelectSlidingWindowLoopClosure::select_final_loop(), and select_final_loop().
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Definition at line 262 of file SlidingWindowLoopClosure.hh.
Referenced by bIdealLoopClosing(), set_bIdealLoopClosing(), and set_defaults().
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Definition at line 251 of file SlidingWindowLoopClosure.hh.
Referenced by keep_fragments(), protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::sample_loops(), sample_loops(), and set_defaults().
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Definition at line 257 of file SlidingWindowLoopClosure.hh.
Referenced by bQuickTest(), and set_defaults().
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Definition at line 245 of file SlidingWindowLoopClosure.hh.
Referenced by process_fragments(), sample_loops(), set_chainbreak_max(), protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::set_defaults(), and set_defaults().
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Definition at line 252 of file SlidingWindowLoopClosure.hh.
Referenced by closure_fragments(), process_fragments(), protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::sample_loops(), and sample_loops().
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Definition at line 264 of file SlidingWindowLoopClosure.hh.
Referenced by apply(), protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::sample_loops(), sample_loops(), and set_evaluation().
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Definition at line 266 of file SlidingWindowLoopClosure.hh.
Referenced by filter_score(), and setup_frag_scorefxn().
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Definition at line 267 of file SlidingWindowLoopClosure.hh.
Referenced by filter_score(), and setup_frag_scorefxn().
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Definition at line 236 of file SlidingWindowLoopClosure.hh.
Referenced by fragments(), protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::sample_loops(), and sample_loops().
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Definition at line 226 of file SlidingWindowLoopClosure.hh.
Referenced by apply(), protocols::loops::loop_closure::ccd::FASelectSlidingWindowLoopClosure::fascore(), generate_window_list(), process_fragments(), protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::sample_loops(), sample_loops(), protocols::loops::loop_closure::ccd::FASelectSlidingWindowLoopClosure::select_final_loop(), select_final_loop(), and set_loop().
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Definition at line 241 of file SlidingWindowLoopClosure.hh.
Referenced by protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::sample_loops(), sample_loops(), and set_defaults().
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Definition at line 240 of file SlidingWindowLoopClosure.hh.
Referenced by protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::sample_loops(), sample_loops(), and set_defaults().
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Definition at line 231 of file SlidingWindowLoopClosure.hh.
Referenced by movemap(), protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::sample_loops(), and sample_loops().
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Definition at line 246 of file SlidingWindowLoopClosure.hh.
Referenced by protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::sample_loops(), sample_loops(), and set_defaults().
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Definition at line 247 of file SlidingWindowLoopClosure.hh.
Referenced by protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::sample_loops(), sample_loops(), scored_frag_cycle_ratio(), and set_defaults().
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Definition at line 228 of file SlidingWindowLoopClosure.hh.
Referenced by apply(), filter_score(), protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::sample_loops(), scorefxn(), and setup_frag_scorefxn().
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Definition at line 248 of file SlidingWindowLoopClosure.hh.
Referenced by protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::sample_loops(), sample_loops(), set_defaults(), and short_frag_cycle_ratio().
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Definition at line 238 of file SlidingWindowLoopClosure.hh.
Referenced by fragments(), and generate_window_list().
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Definition at line 244 of file SlidingWindowLoopClosure.hh.
Referenced by process_fragments(), protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::sample_loops(), sample_loops(), protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::set_defaults(), and set_defaults().
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Definition at line 249 of file SlidingWindowLoopClosure.hh.
Referenced by process_fragments(), and set_defaults().
1.8.4