|
Rosetta 3.5
|
#include <RemodelMover.hh>


Classes | |
| struct | instruction_flags |
Public Member Functions | |
| RemodelMover () | |
| default constructor More... | |
| RemodelMover (RemodelMover const &rval) | |
| copy constructor More... | |
| virtual | ~RemodelMover () |
| default destructor More... | |
| virtual MoverOP | clone () const |
| clone this object, for parser More... | |
| virtual MoverOP | fresh_instance () const |
| create this type of object, for parser More... | |
| virtual MoverOP | clone () |
| clone this object More... | |
| virtual MoverOP | fresh_instance () |
| create this type of object More... | |
| ScoreFunction const & | centroid_scorefunction () const |
| the centroid level score function, default "remodel_cen" More... | |
| ScoreFunction const & | fullatom_scorefunction () const |
| the full-atom level score function, default score12 More... | |
| void | max_linear_chainbreak (Real const threshold) |
| add instruction to the manager of this RemodelMover (no copy) More... | |
| void | centroid_loop_mover_str (String const &loop_mover_str) |
| the loop mover string to use during centroid build More... | |
| void | redesign_loop_neighborhood (bool const flag) |
| redesign the neighborhood around the loop? if false, then just repacks during the design phase More... | |
| void | dr_cycles (Size const cycles) |
| set the number of design-refine cycles to perform More... | |
| void | centroid_scorefunction (ScoreFunction const &sfx) |
| set the centroid level score function More... | |
| void | centroid_scorefunction (ScoreFunctionOP const &sfx) |
| set the centroid level score function More... | |
| void | fullatom_scorefunction (ScoreFunction const &sfx) |
| set the full-atom level score function More... | |
| void | fullatom_scorefunction (ScoreFunctionOP const &sfx) |
| set the full-atom level score function More... | |
| virtual void | apply (Pose &pose) |
| apply defined moves to given Pose More... | |
| virtual std::string | get_name () const |
| Each derived class must specify its name. The class name. More... | |
| bool | confirm_sequence (core::pose::Pose &pose) |
| virtual void | parse_my_tag (TagPtr const tag, DataMap &data, Filters_map const &, Movers_map const &, Pose const &) |
| parse xml More... | |
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) |
| 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... | |
| void | set_current_job (protocols::jobdist::BasicJobCOP job) |
| jobdist::BasicJobCOP | get_current_job () const |
Static Public Member Functions | |
| static String | neighborhood_calc_name () |
| the name for the loops' neighborhood calculator More... | |
| static String | loops_buns_polar_calc_name () |
| the name for the loops' buried unsatisfied polars calculator More... | |
| static String | neighborhood_buns_polar_calc_name () |
| the name for the loops' neighborhood buried unsatisfied polars calculator More... | |
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... | |
Private Types | |
| typedef protocols::moves::Mover | Super |
Private Member Functions | |
| RemodelMover & | operator= (RemodelMover const &rval) |
| copy assignment More... | |
| void | register_user_options () |
| bool | centroid_build (Pose &pose, protocols::forge::build::BuildManager &manager) |
| bool | centroid_build (Pose &pose) |
| run the centroid level build stage More... | |
| bool | design_refine_seq_relax (Pose &pose, RemodelDesignMover &designMover) |
| bool | design_refine (Pose &pose, RemodelDesignMover &designMover) |
| run the design-refine stage More... | |
| TaskFactoryOP | generic_taskfactory () |
| return a TaskFactory useable as a starting point for either design or refinement More... | |
| void | process_continuous_design_string (Interval const &original_interval, String const &design_str, Original2Modified const &original2modified_interval_endpoints, TaskFactoryOP design_tf) |
| process a continuous design string, adding appropriate operations to the TaskFactory More... | |
| void | process_insert_design_string (Interval const &original_interval, String const &design_str, Original2Modified const &original2modified_interval_endpoints, TaskFactoryOP design_tf) |
| process a design string containing an insert, adding appropriate operations to the TaskFactory More... | |
Static Private Member Functions | |
| static utility::vector1< bool > const & | allowed_surface_aa () |
| return a boolean vector specifying allowed a.a. when designing on the surface More... | |
Private Attributes | |
| BuildManager | manager_ |
| the BuildManager More... | |
| Pose | native_pose_ |
| RemodelData | remodel_data_ |
| holds all the blueprint info, contains build manager More... | |
| RemodelWorkingSet | working_model_ |
| working set holds all the modified index that is required for the remodeling task More... | |
| DesignInfo | design_info_ |
| Stores instructions' original interval and a string denoting the sequence during design. More... | |
| Real | max_linear_chainbreak_ |
| use sequence biased fragments when building the loop? (default false) More... | |
| String | centroid_loop_mover_str_ |
| the loop mover string to use during centroid build (default "RemodelLoopMover") More... | |
| bool | redesign_loop_neighborhood_ |
| redesign the neighborhood around the loop? if false, then just repacks during the design phase (default true) More... | |
| Size | dr_cycles_ |
| name of the resfile to use during design-refine; empty string implies no resfile String resfile_; More... | |
| ScoreFunctionOP | centroid_sfx_ |
| the centroid scorefunction to use, default "remodel_cen" More... | |
| ScoreFunctionOP | fullatom_sfx_ |
| the full-atom scorefunction to use, default score12 More... | |
| String | blueprint_ |
| VarLengthBuildOP | vlb_ |
| VLB for centroid_build. More... | |
Additional Inherited Members | |
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... | |
Definition at line 52 of file RemodelMover.hh.
| typedef protocols::forge::build::BuildInstructionOP protocols::forge::remodel::RemodelMover::BuildInstructionOP |
Definition at line 73 of file RemodelMover.hh.
Definition at line 74 of file RemodelMover.hh.
Definition at line 94 of file RemodelMover.hh.
| typedef utility::vector1< OriginalInterval2DesignString > protocols::forge::remodel::RemodelMover::DesignInfo |
Definition at line 89 of file RemodelMover.hh.
Definition at line 93 of file RemodelMover.hh.
Definition at line 76 of file RemodelMover.hh.
Definition at line 77 of file RemodelMover.hh.
Definition at line 95 of file RemodelMover.hh.
| typedef protocols::forge::build::BuildManager::Original2Modified protocols::forge::remodel::RemodelMover::Original2Modified |
Definition at line 75 of file RemodelMover.hh.
| typedef std::pair< Interval, String > protocols::forge::remodel::RemodelMover::OriginalInterval2DesignString |
A pair storing a instruction's original interval and a string denoting the sequence during design.
Definition at line 88 of file RemodelMover.hh.
Definition at line 69 of file RemodelMover.hh.
Definition at line 66 of file RemodelMover.hh.
Definition at line 80 of file RemodelMover.hh.
| typedef protocols::forge::remodel::WorkingRemodelSet protocols::forge::remodel::RemodelMover::RemodelWorkingSet |
Definition at line 81 of file RemodelMover.hh.
Definition at line 70 of file RemodelMover.hh.
Definition at line 71 of file RemodelMover.hh.
Definition at line 67 of file RemodelMover.hh.
| typedef std::string protocols::forge::remodel::RemodelMover::String |
Definition at line 64 of file RemodelMover.hh.
Definition at line 58 of file RemodelMover.hh.
| typedef utility::tag::TagPtr protocols::forge::remodel::RemodelMover::TagPtr |
Definition at line 92 of file RemodelMover.hh.
Definition at line 68 of file RemodelMover.hh.
| typedef protocols::forge::components::VarLengthBuild protocols::forge::remodel::RemodelMover::VarLengthBuild |
Definition at line 79 of file RemodelMover.hh.
| typedef protocols::forge::components::VarLengthBuildOP protocols::forge::remodel::RemodelMover::VarLengthBuildOP |
Definition at line 78 of file RemodelMover.hh.
| protocols::forge::remodel::RemodelMover::RemodelMover | ( | ) |
default constructor
Definition at line 145 of file RemodelMover.cc.
References core::scoring::ScoreFunctionFactory::create_score_function(), fullatom_sfx_, register_user_options(), core::scoring::SOFT_REP_DESIGN_WTS, and protocols::forge::remodel::TR().
Referenced by clone(), and fresh_instance().
| protocols::forge::remodel::RemodelMover::RemodelMover | ( | RemodelMover const & | rval) |
|
virtual |
default destructor
Definition at line 242 of file RemodelMover.cc.
|
staticprivate |
return a boolean vector specifying allowed a.a. when designing on the surface
Definition at line 1735 of file RemodelMover.cc.
References core::chemical::aa_from_oneletter_code().
Referenced by process_continuous_design_string(), and process_insert_design_string().
|
virtual |
apply defined moves to given Pose
Implements protocols::moves::Mover.
Definition at line 338 of file RemodelMover.cc.
References protocols::viewer::add_conformation_viewer(), protocols::simple_moves::symmetry::SetupNCSMover::add_group(), protocols::simple_filters::ScoreTypeFilter::apply(), protocols::simple_moves::symmetry::SetupForSymmetryMover::apply(), protocols::simple_moves::symmetry::SetupNCSMover::apply(), protocols::forge::remodel::RemodelAccumulator::apply(), protocols::forge::remodel::RemodelDesignMover::apply(), core::scoring::atom_pair_constraint, protocols::forge::remodel::RemodelData::blueprint, blueprint_, core::scoring::cart_bonded_angle, core::scoring::cart_bonded_length, core::scoring::cart_bonded_torsion, core::scoring::cen_hb, core::chemical::CENTROID, centroid_build(), centroid_sfx_, protocols::forge::remodel::RemodelAccumulator::cluster_switch(), protocols::forge::remodel::RemodelAccumulator::clustered_best_poses(), protocols::simple_filters::ScoreTypeFilter::compute(), confirm_sequence(), core::pose::Pose::conformation(), protocols::forge::remodel::RemodelAccumulator::contents_in_pose_store(), core::conformation::ResidueFactory::create_residue(), core::scoring::ScoreFunctionFactory::create_score_function(), core::id::D, core::conformation::Conformation::delete_residue_slow(), design_refine(), design_refine_seq_relax(), core::scoring::dihedral_constraint, core::sequence::end, core::pose::datacache::CacheableObserverType::ENZDES_OBSERVER, core::chemical::FA_STANDARD, protocols::moves::FAIL_DO_NOT_RETRY, protocols::moves::FAIL_RETRY, protocols::forge::remodel::RemodelDesignMover::find_disulfides_in_the_neighborhood(), core::pose::Pose::fold_tree(), fullatom_sfx_, protocols::toolbox::match_enzdes_util::get_enzdes_observer(), core::scoring::hbond_lr_bb, core::scoring::hbond_sr_bb, core::conformation::Conformation::insert_ideal_geometry_at_polymer_bond(), loops_buns_polar_calc_name(), protocols::forge::remodel::RemodelDesignMover::make_disulfide(), manager_, core::pose::Pose::metric(), protocols::forge::build::BuildManager::movemap(), protocols::moves::MS_SUCCESS, core::pose::Pose::n_residue(), core::chemical::ResidueTypeSet::name_map(), native_pose_, protocols::forge::remodel::RemodelData::natro_movemap_, neighborhood_buns_polar_calc_name(), neighborhood_calc_name(), core::conformation::Residue::nheavyatoms(), core::pose::Pose::observer_cache(), core::scoring::omega, core::pose::Pose::omega(), core::pose::Pose::pdb_info(), core::pose::Pose::phi(), core::pose::Pose::psi(), protocols::forge::remodel::RemodelAccumulator::recover_checkpoint(), remodel_data_, core::pose::Pose::remove_constraints(), core::pose::renumber_pdbinfo_based_on_conf_chains(), core::kinematics::FoldTree::reorder(), core::scoring::res_type_constraint, core::scoring::res_type_linking_constraint, core::pose::Pose::residue(), core::conformation::Residue::residue_type_set(), core::conformation::Conformation::safely_append_polymer_residue_after_seqpos(), core::scoring::SCORE12_PATCH, protocols::forge::remodel::RemodelDesignMover::scorefunction(), protocols::forge::remodel::RemodelData::sequence, core::pose::datacache::ObserverCache::set(), protocols::moves::Mover::set_last_move_status(), core::pose::Pose::set_omega(), core::pose::Pose::set_phi(), core::pose::Pose::set_psi(), protocols::forge::remodel::RemodelDesignMover::set_state(), core::scoring::STANDARD_WTS, core::util::switch_to_residue_type_set(), core::id::THETA, core::pose::Pose::total_residue(), core::scoring::total_score, protocols::forge::remodel::TR(), protocols::forge::build::BuildManager::union_of_intervals_containing_undefined_positions(), working_model_, and protocols::forge::remodel::RemodelAccumulator::write_checkpoint().
|
private |
Definition at line 1011 of file RemodelMover.cc.
References manager_, and protocols::forge::remodel::TR().
Referenced by apply().
run the centroid level build stage
Definition at line 1034 of file RemodelMover.cc.
References protocols::forge::remodel::WorkingRemodelSet::abego, centroid_loop_mover_str_, centroid_sfx_, core::scoring::Energies::clear(), protocols::forge::components::VLB_VallMemoryUsage::CLEAR_IF_CACHING_FRAGMENTS, core::pose::Pose::energies(), core::chemical::FA_STANDARD, protocols::forge::build::BuildManager::intervals_containing_undefined_positions(), protocols::forge::methods::intervals_to_loops(), manager_, max_linear_chainbreak_, protocols::moves::MS_SUCCESS, remodel_data_, protocols::forge::remodel::RemodelLoopMover::repeat_generation_with_additional_residue(), protocols::forge::methods::restore_residues(), core::scoring::SCORE12_PATCH, protocols::forge::remodel::RemodelData::sequence, protocols::forge::remodel::RemodelLoopMover::set_repeat_tail_length(), protocols::forge::remodel::WorkingRemodelSet::ss, core::scoring::STANDARD_WTS, core::util::switch_to_residue_type_set(), core::pose::Pose::total_residue(), vlb_, and working_model_.
|
inline |
the loop mover string to use during centroid build
Definition at line 257 of file RemodelMover.hh.
References centroid_loop_mover_str_.
| RemodelMover::ScoreFunction const & protocols::forge::remodel::RemodelMover::centroid_scorefunction | ( | ) | const |
the centroid level score function, default "remodel_cen"
Definition at line 269 of file RemodelMover.cc.
References centroid_sfx_.
| void protocols::forge::remodel::RemodelMover::centroid_scorefunction | ( | ScoreFunction const & | sfx) |
set the centroid level score function
add instruction to the manager of this RemodelMover (no copy)
| [in] | bi | BuildInstruction |
| [in] | aa_during_design_refine | The allowed amino acid sequence during design. Only applicable to BuildInstructions like SegmentRebuild and SegmentInsert. Make sure the length of this string matches up properly. Default empty string. create directed dependency between two instructions set the centroid level score function |
Definition at line 314 of file RemodelMover.cc.
References centroid_sfx_, and core::scoring::ScoreFunction::clone().
| void protocols::forge::remodel::RemodelMover::centroid_scorefunction | ( | ScoreFunctionOP const & | sfx) |
set the centroid level score function
Definition at line 320 of file RemodelMover.cc.
References centroid_sfx_.
|
virtual |
clone this object, for parser
clone for parser
Reimplemented from protocols::moves::Mover.
Definition at line 246 of file RemodelMover.cc.
References RemodelMover().
|
virtual |
| bool protocols::forge::remodel::RemodelMover::confirm_sequence | ( | core::pose::Pose & | pose) |
Definition at line 1474 of file RemodelMover.cc.
References protocols::loops::loop_mover::refine::LoopMover_Refine_KIC::apply(), protocols::loops::loop_mover::refine::LoopMover_Refine_CCD::apply(), core::sequence::end, protocols::loops::loop_mover::LoopMover::false_movemap(), core::pose::Pose::fold_tree(), protocols::loops::fold_tree_from_loops(), fullatom_sfx_, generic_taskfactory(), protocols::forge::build::BuildManager::intervals_containing_undefined_positions(), protocols::forge::methods::intervals_to_confirmation_loops(), core::conformation::Residue::is_DNA(), manager_, protocols::forge::build::BuildManager::movemap(), native_pose_, protocols::forge::remodel::RemodelData::natro_movemap_, neighborhood_calc_name(), core::pose::Pose::pdb_info(), remodel_data_, core::pose::Pose::residue(), core::kinematics::MoveMap::set_bb(), core::kinematics::MoveMap::set_chi(), protocols::loops::loop_mover::refine::LoopMover_Refine_CCD::set_task_factory(), core::pose::Pose::total_residue(), protocols::forge::remodel::TR(), core::pose::RemarkInfo::value, and core::conformation::Residue::xyz().
Referenced by apply().
|
private |
run the design-refine stage
Definition at line 1324 of file RemodelMover.cc.
References core::pose::annotated_to_oneletter_sequence(), protocols::loops::loop_mover::refine::LoopMover_Refine_KIC::apply(), protocols::forge::remodel::RemodelDesignMover::apply(), core::scoring::atom_pair_constraint, core::pack::dunbrack::c, core::scoring::Energies::clear(), core::scoring::ScoreFunctionFactory::create_score_function(), core::scoring::dihedral_constraint, dr_cycles_, core::pose::Pose::energies(), core::pose::Pose::fold_tree(), protocols::loops::fold_tree_from_loops(), generic_taskfactory(), core::kinematics::MoveMap::get_chi(), protocols::forge::build::BuildManager::intervals_containing_undefined_positions(), protocols::forge::methods::intervals_to_loops(), core::conformation::Residue::is_DNA(), protocols::forge::methods::linear_chainbreak(), core::scoring::linear_chainbreak, manager_, max_linear_chainbreak_, protocols::forge::build::BuildManager::movemap(), protocols::forge::remodel::RemodelData::natro_movemap_, neighborhood_calc_name(), protocols::forge::build::BuildManager::original2modified_interval_endpoints(), remodel_data_, core::util::remove_cutpoint_variants(), protocols::loops::remove_cutpoint_variants(), core::pose::Pose::residue(), core::scoring::SCORE12_PATCH, core::kinematics::MoveMap::set_bb(), core::kinematics::MoveMap::set_chi(), protocols::forge::remodel::RemodelDesignMover::set_state(), core::scoring::STANDARD_WTS, core::pose::Pose::total_residue(), and protocols::forge::remodel::TR().
Referenced by apply().
|
private |
Definition at line 1176 of file RemodelMover.cc.
References core::scoring::angle_constraint, core::pose::annotated_to_oneletter_sequence(), protocols::forge::remodel::RemodelDesignMover::apply(), protocols::relax::FastRelax::apply(), core::scoring::atom_pair_constraint, core::scoring::Energies::clear(), core::pose::Pose::constraint_set(), core::scoring::coordinate_constraint, core::scoring::ScoreFunctionFactory::create_score_function(), protocols::forge::methods::cyclize_pose(), core::scoring::dihedral_constraint, dr_cycles_, core::pose::Pose::energies(), protocols::forge::methods::fill_non_loop_cst_set(), protocols::forge::build::BuildManager::intervals_containing_undefined_positions(), protocols::forge::methods::intervals_to_loops(), protocols::forge::methods::linear_chainbreak(), manager_, core::pose::Pose::n_residue(), protocols::forge::build::BuildManager::original2modified_interval_endpoints(), protocols::loops::remove_cutpoint_variants(), core::scoring::res_type_constraint, core::scoring::res_type_linking_constraint, core::scoring::SCORE12_PATCH, protocols::forge::remodel::RemodelDesignMover::set_state(), core::scoring::STANDARD_WTS, and protocols::forge::remodel::TR().
Referenced by apply().
|
inline |
set the number of design-refine cycles to perform
Definition at line 280 of file RemodelMover.hh.
References dr_cycles_.
|
virtual |
create this type of object, for parser
fresh instance for parser
Reimplemented from protocols::moves::Mover.
Definition at line 252 of file RemodelMover.cc.
References RemodelMover().
|
virtual |
create this type of object
Definition at line 264 of file RemodelMover.cc.
References RemodelMover().
| RemodelMover::ScoreFunction const & protocols::forge::remodel::RemodelMover::fullatom_scorefunction | ( | ) | const |
the full-atom level score function, default score12
Definition at line 275 of file RemodelMover.cc.
References fullatom_sfx_.
| void protocols::forge::remodel::RemodelMover::fullatom_scorefunction | ( | ScoreFunction const & | sfx) |
set the full-atom level score function
Definition at line 326 of file RemodelMover.cc.
References core::scoring::ScoreFunction::clone(), and fullatom_sfx_.
| void protocols::forge::remodel::RemodelMover::fullatom_scorefunction | ( | ScoreFunctionOP const & | sfx) |
set the full-atom level score function
Definition at line 332 of file RemodelMover.cc.
References fullatom_sfx_.
|
private |
return a TaskFactory useable as a starting point for either design or refinement
Definition at line 1610 of file RemodelMover.cc.
Referenced by confirm_sequence(), and design_refine().
|
virtual |
Each derived class must specify its name. The class name.
Implements protocols::moves::Mover.
Definition at line 1007 of file RemodelMover.cc.
|
inlinestatic |
the name for the loops' buried unsatisfied polars calculator
Definition at line 316 of file RemodelMover.hh.
Referenced by apply().
|
inline |
add instruction to the manager of this RemodelMover (no copy)
| [in] | bi | BuildInstruction |
| [in] | aa_during_design_refine | The allowed amino acid sequence during design. Only applicable to BuildInstructions like SegmentRebuild and SegmentInsert. Make sure the length of this string matches up properly, and remember to use any special characters, e.g. the insertion character for SegmentInsert the maximum allowed linear chainbreak |
Definition at line 248 of file RemodelMover.hh.
References max_linear_chainbreak_.
|
inlinestatic |
the name for the loops' neighborhood buried unsatisfied polars calculator
Definition at line 325 of file RemodelMover.hh.
Referenced by apply().
|
inlinestatic |
the name for the loops' neighborhood calculator
Definition at line 307 of file RemodelMover.hh.
Referenced by apply(), confirm_sequence(), and design_refine().
|
private |
copy assignment
|
virtual |
parse xml
Reimplemented from protocols::moves::Mover.
Definition at line 1750 of file RemodelMover.cc.
References blueprint_.
|
private |
process a continuous design string, adding appropriate operations to the TaskFactory
Definition at line 1641 of file RemodelMover.cc.
References core::chemical::aa_from_oneletter_code(), allowed_surface_aa(), and protocols::forge::build::Interval::left.
|
private |
process a design string containing an insert, adding appropriate operations to the TaskFactory
Definition at line 1674 of file RemodelMover.cc.
References core::chemical::aa_from_oneletter_code(), allowed_surface_aa(), protocols::forge::build::Interval::left, protocols::forge::build::Interval::length(), and protocols::forge::build::Interval::right.
|
inline |
redesign the neighborhood around the loop? if false, then just repacks during the design phase
Definition at line 265 of file RemodelMover.hh.
References redesign_loop_neighborhood_.
|
private |
Definition at line 166 of file RemodelMover.cc.
References core::scoring::cbeta, core::scoring::cenpack, centroid_sfx_, core::scoring::hbond_lr_bb, core::scoring::hbond_sr_bb, core::scoring::rama, core::scoring::rg, core::scoring::rsigma, core::scoring::ss_pair, protocols::forge::remodel::TR(), and core::scoring::vdw.
Referenced by RemodelMover().
|
private |
Definition at line 467 of file RemodelMover.hh.
Referenced by apply(), and parse_my_tag().
|
private |
the loop mover string to use during centroid build (default "RemodelLoopMover")
Definition at line 441 of file RemodelMover.hh.
Referenced by centroid_build(), and centroid_loop_mover_str().
|
private |
the centroid scorefunction to use, default "remodel_cen"
Definition at line 459 of file RemodelMover.hh.
Referenced by apply(), centroid_build(), centroid_scorefunction(), and register_user_options().
|
private |
Stores instructions' original interval and a string denoting the sequence during design.
Definition at line 426 of file RemodelMover.hh.
|
private |
name of the resfile to use during design-refine; empty string implies no resfile String resfile_;
the number of design-refine cycles to perform, default 3
Definition at line 455 of file RemodelMover.hh.
Referenced by design_refine(), design_refine_seq_relax(), and dr_cycles().
|
private |
the full-atom scorefunction to use, default score12
Definition at line 463 of file RemodelMover.hh.
Referenced by apply(), confirm_sequence(), fullatom_scorefunction(), and RemodelMover().
|
private |
the BuildManager
Definition at line 409 of file RemodelMover.hh.
Referenced by apply(), centroid_build(), confirm_sequence(), design_refine(), and design_refine_seq_relax().
|
private |
use sequence biased fragments when building the loop? (default false)
bool use_sequence_bias_; the maximum allowed linear chainbreak (default 0.07)
Definition at line 434 of file RemodelMover.hh.
Referenced by centroid_build(), design_refine(), and max_linear_chainbreak().
|
private |
Definition at line 411 of file RemodelMover.hh.
Referenced by apply(), and confirm_sequence().
|
private |
redesign the neighborhood around the loop? if false, then just repacks during the design phase (default true)
Definition at line 446 of file RemodelMover.hh.
Referenced by redesign_loop_neighborhood().
|
private |
holds all the blueprint info, contains build manager
Definition at line 414 of file RemodelMover.hh.
Referenced by apply(), centroid_build(), confirm_sequence(), and design_refine().
|
private |
VLB for centroid_build.
Definition at line 524 of file RemodelMover.hh.
Referenced by centroid_build(), and RemodelMover().
|
private |
working set holds all the modified index that is required for the remodeling task
Definition at line 418 of file RemodelMover.hh.
Referenced by apply(), and centroid_build().
1.8.4