Package rosetta :: Package protocols :: Package grafting :: Module _protocols_grafting_
[hide private]
[frames] | no frames]

Module _protocols_grafting_

Classes [hide private]
  AnchoredGraftMover
Grafting class adapted from Steven Lewis' pose_into_pose algorithm.
  AnchoredGraftMoverAP
  AnchoredGraftMoverCAP
  AnchoredGraftMoverCreator
protocols/grafting/AnchoredGraftMoverCreator.hh:21
  AnchoredGraftMoverCreatorAP
  AnchoredGraftMoverCreatorCAP
  CCDEndsGraftMover
General purpose Grafting class which: 1) superimposes the insert onto the scaffold using any overhang residues, 2) Inserts the pose piece into the scaffold pose, deleting any overhang residues or residues in the region the isertion will occur between.
  CCDEndsGraftMoverAP
  CCDEndsGraftMoverCAP
  CCDEndsGraftMoverCreator
protocols/grafting/CCDEndsGraftMoverCreator.hh:21
  CCDEndsGraftMoverCreatorAP
  CCDEndsGraftMoverCreatorCAP
  GraftMoverBase
Fairly abstract base class for GraftMover classes
  GraftMoverBaseAP
  GraftMoverBaseCAP
  SingletonBase_T_core_chemical_ChemicalManager_T
SingletonBase is meant to serve as a base class for singleton classes in Rosetta handling the initialization of the singleton in a thread-safe way.
  SingletonBase_T_core_chemical_ChemicalManager_TAP
  SingletonBase_T_core_chemical_ChemicalManager_TCAP
  __CPP_AnchoredGraftMoverCreator__
  __CPP_AnchoredGraftMover__
  __CPP_CCDEndsGraftMoverCreator__
  __CPP_CCDEndsGraftMover__
  __CPP_GraftMoverBase__
Functions [hide private]
 
add_cutpoint_variants_for_ccd(...)
add_cutpoint_variants_for_ccd( (Pose)pose, (Loops)loops) -> None : Adds cutpoint varients above and below cutpoint
 
combine_movemaps_post_insertion(...)
combine_movemaps_post_insertion( (MoveMap)scaffold_mm, (MoveMap)insert_mm, (int)start, (int)original_end, (int)insertion_length [, (int)cter_overhang_start=0]) -> MoveMap : combines the two main movemaps to use after the insertion.
 
delete_overhang_residues(...)
delete_overhang_residues( (Pose)piece, (int)Nter_overhang_len, (int)Cter_overhang_length_len) -> None : deletes overhang residues of the pose piece.
 
delete_region(...)
delete_region( (Pose)pose, (int)start, (int)end) -> None : Deletes a region of the pose.
 
graft_closed(...)
graft_closed( (Pose)pose, (Loops)loops) -> bool : Uses has_severe_peptide_bond_issues with stringent geometry values to determine graft closure at cutpoint.
 
idealize_combined_pose(...)
idealize_combined_pose( (Pose)combined, (MoveMap)movemap, (int)start, (int)insert_start, (int)insert_end, (int)Nter_loop_start, (int)Cter_loop_end [, (bool)idealize_insert=False]) -> None : Idealize loop residues and residues in movemap.
 
insert_pose_into_pose(...)
insert_pose_into_pose( (Pose)scaffold_pose, (Pose)insert_pose, (int)insert_point [, (bool)copy_pdbinfo=False]) -> Pose : inserts one pose into another pose, returning the product as a new value.
 
perturb_backbone_for_test(...)
perturb_backbone_for_test( (Pose)pose, (MoveMap)mm) -> float : Uses a small mover at high KT to perturb residues in the movemap for testing.
 
remove_cutpoint_variants_for_ccd(...)
remove_cutpoint_variants_for_ccd( (Pose)pose, (Loops)loops) -> None : Removes cutpoint variants above and below cutpoint
 
repack_connection_and_residues_in_movemap(...)
repack_connection_and_residues_in_movemap( (Pose)pose, (__CPP_ScoreFunction__)fa_scorefxn, (int)start, (int)end, (MoveMap)movemap) -> None : ///////////////////////////// convenience function for AFTER apply method.
 
repack_connection_and_residues_in_movemap_and_piece(...)
repack_connection_and_residues_in_movemap_and_piece( (Pose)pose, (__CPP_ScoreFunction__)fa_scorefxn, (int)start, (int)end, (MoveMap)movemap) -> None : convenience function for AFTER apply method.
 
repack_connection_and_residues_in_movemap_and_piece_and_neighbors(...)
repack_connection_and_residues_in_movemap_and_piece_and_neighbors( (Pose)pose, (__CPP_ScoreFunction__)fa_scorefxn, (int)start, (int)end, (MoveMap)movemap [, (float)neighbor_dis=4.0]) -> None : convenience function for AFTER apply method.
 
replace_region(...)
replace_region( (Pose)from_pose, (Pose)to_pose, (int)from_pose_start_residue, (int)to_pose_start_residue, (int)insertion_length [, (bool)copy_pdbinfo=False]) -> Pose : replaces residues from from_pose to to_pose into pose where insertion region is defined.
 
return_region(...)
return_region( (Pose)pose, (int)start, (int)end) -> Pose : Returns a region of the pose including start and end as a new pose.
 
setup_single_loop_double_arm_remodeling_foldtree(...)
setup_single_loop_double_arm_remodeling_foldtree( (Pose)pose, (int)Nter_loop_start, (int)Cter_loop_end, (int)end [, (bool)loop_modeling=False]) -> None : /////////////////////////////////////////////////////////////// ****Nter_loop_start---->Piece | <----Nter_loop_end**** Insert will move in cartesian space s lower_cutpoint for CCD and loops is end_-1
 
setup_single_loop_single_arm_remodeling_foldtree(...)
setup_single_loop_single_arm_remodeling_foldtree( (Pose)pose, (int)Nter_loop_start, (int)Cter_loop_end [, (bool)loop_modeling=False]) -> None : ///////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////// ////////////////////////////////////////////////////////////// ****Nter_loop_start---->Piece----> | Cter_loop_end**** Default FoldTree used by AnchoredGraftMover.
 
superimpose_overhangs_heavy(...)
superimpose_overhangs_heavy( (Pose)pose, (Pose)piece, (bool)ca_only, (int)start, (int)end [, (int)Nter_overhang_len=2 [, (int)Cter_overhang_length_len=2]]) -> None : uses rms_util to superimpose overhang residues of piece onto pose.
Variables [hide private]
  __package__ = None
Function Details [hide private]

add_cutpoint_variants_for_ccd(...)

 

add_cutpoint_variants_for_ccd( (Pose)pose, (Loops)loops) -> None :
    Adds cutpoint varients above and below cutpoint
    

    C++ signature :
        void add_cutpoint_variants_for_ccd(core::pose::Pose {lvalue},protocols::loops::Loops)

combine_movemaps_post_insertion(...)

 

combine_movemaps_post_insertion( (MoveMap)scaffold_mm, (MoveMap)insert_mm, (int)start, (int)original_end, (int)insertion_length [, (int)cter_overhang_start=0]) -> MoveMap :
    combines the two main movemaps to use after the insertion.
    Start + End denote residue number before and after the insert.
    original_end denotes the end residue number before insertion occurred
    

    C++ signature :
        boost::shared_ptr<core::kinematics::MoveMap> combine_movemaps_post_insertion(boost::shared_ptr<core::kinematics::MoveMap const>,boost::shared_ptr<core::kinematics::MoveMap const>,unsigned long,unsigned long,unsigned long [,unsigned long=0])

delete_overhang_residues(...)

 

delete_overhang_residues( (Pose)piece, (int)Nter_overhang_len, (int)Cter_overhang_length_len) -> None :
    deletes overhang residues of the pose piece.
    Recommended use is within apply method
    

    C++ signature :
        void delete_overhang_residues(core::pose::Pose {lvalue},unsigned long,unsigned long)

delete_region(...)

 

delete_region( (Pose)pose, (int)start, (int)end) -> None :
    Deletes a region of the pose. Starting from and including 'start' and 'end' residue.
    

    C++ signature :
        void delete_region(core::pose::Pose {lvalue},unsigned long,unsigned long)

graft_closed(...)

 

graft_closed( (Pose)pose, (Loops)loops) -> bool :
    Uses has_severe_peptide_bond_issues with stringent geometry values to
    determine graft closure at cutpoint.
    

    C++ signature :
        bool graft_closed(core::pose::Pose {lvalue},protocols::loops::Loops {lvalue})

idealize_combined_pose(...)

 

idealize_combined_pose( (Pose)combined, (MoveMap)movemap, (int)start, (int)insert_start, (int)insert_end, (int)Nter_loop_start, (int)Cter_loop_end [, (bool)idealize_insert=False]) -> None :
    Idealize loop residues and residues in movemap.
    

    C++ signature :
        void idealize_combined_pose(core::pose::Pose {lvalue},boost::shared_ptr<core::kinematics::MoveMap>,unsigned long,unsigned long,unsigned long,unsigned long,unsigned long [,bool=False])

insert_pose_into_pose(...)

 

insert_pose_into_pose( (Pose)scaffold_pose, (Pose)insert_pose, (int)insert_point [, (bool)copy_pdbinfo=False]) -> Pose :
    inserts one pose into another pose, returning the product as a new value.
    Nter->Cter. Coordinates and dihedrals of insert are unchanged.
    Begins insertion AFTER insert point. insert_point_end is assumed to be insert_point+1.
    

    C++ signature :
        core::pose::Pose insert_pose_into_pose(core::pose::Pose,core::pose::Pose,unsigned long [,bool=False])

insert_pose_into_pose( (Pose)scaffold_pose, (Pose)insert_pose, (int)insert_point, (int)insert_point_end [, (bool)copy_pdbinfo=False]) -> Pose :
    Steven Lewis smlewi@gmail.com, Jared Adolf-Bryfogle
    inserts one pose into another pose, returning the product as a new value.
    Nter->Cter. Coordinates and dihedrals of insert are unchanged.
    Begins insertion AFTER insert point.
    

    C++ signature :
        core::pose::Pose insert_pose_into_pose(core::pose::Pose,core::pose::Pose,unsigned long,unsigned long [,bool=False])

perturb_backbone_for_test(...)

 

perturb_backbone_for_test( (Pose)pose, (MoveMap)mm) -> float :
    Uses a small mover at high KT to perturb residues in the movemap for testing.
     Returns bb_RMS_including_o
    

    C++ signature :
        double perturb_backbone_for_test(core::pose::Pose {lvalue},boost::shared_ptr<core::kinematics::MoveMap>)

remove_cutpoint_variants_for_ccd(...)

 

remove_cutpoint_variants_for_ccd( (Pose)pose, (Loops)loops) -> None :
    Removes cutpoint variants above and below cutpoint
    

    C++ signature :
        void remove_cutpoint_variants_for_ccd(core::pose::Pose {lvalue},protocols::loops::Loops)

repack_connection_and_residues_in_movemap(...)

 

repack_connection_and_residues_in_movemap( (Pose)pose, (__CPP_ScoreFunction__)fa_scorefxn, (int)start, (int)end, (MoveMap)movemap) -> None :
    /////////////////////////////
     convenience function for AFTER apply method.
     flexible Nter and Cter residues plus the first and last residue of the insert.
    

    C++ signature :
        void repack_connection_and_residues_in_movemap(core::pose::Pose {lvalue},boost::shared_ptr<core::scoring::ScoreFunction const>,unsigned long,unsigned long,boost::shared_ptr<core::kinematics::MoveMap const>)

repack_connection_and_residues_in_movemap_and_piece(...)

 

repack_connection_and_residues_in_movemap_and_piece( (Pose)pose, (__CPP_ScoreFunction__)fa_scorefxn, (int)start, (int)end, (MoveMap)movemap) -> None :
    convenience function for AFTER apply method.
    flexible Nter and Cter residues plus the entire insert.
    

    C++ signature :
        void repack_connection_and_residues_in_movemap_and_piece(core::pose::Pose {lvalue},boost::shared_ptr<core::scoring::ScoreFunction const>,unsigned long,unsigned long,boost::shared_ptr<core::kinematics::MoveMap const>)

repack_connection_and_residues_in_movemap_and_piece_and_neighbors(...)

 

repack_connection_and_residues_in_movemap_and_piece_and_neighbors( (Pose)pose, (__CPP_ScoreFunction__)fa_scorefxn, (int)start, (int)end, (MoveMap)movemap [, (float)neighbor_dis=4.0]) -> None :
    convenience function for AFTER apply method.
    flexible Nter and Cter residues plus the entire insert and neighbors.
    

    C++ signature :
        void repack_connection_and_residues_in_movemap_and_piece_and_neighbors(core::pose::Pose {lvalue},boost::shared_ptr<core::scoring::ScoreFunction const>,unsigned long,unsigned long,boost::shared_ptr<core::kinematics::MoveMap const> [,double=4.0])

replace_region(...)

 

replace_region( (Pose)from_pose, (Pose)to_pose, (int)from_pose_start_residue, (int)to_pose_start_residue, (int)insertion_length [, (bool)copy_pdbinfo=False]) -> Pose :
    replaces residues from from_pose to to_pose into pose where insertion region is defined. Returns product as a new value.
    

    C++ signature :
        core::pose::Pose replace_region(core::pose::Pose,core::pose::Pose,unsigned long,unsigned long,unsigned long [,bool=False])

return_region(...)

 

return_region( (Pose)pose, (int)start, (int)end) -> Pose :
    Returns a region of the pose including start and end as a new pose. Has a simple foldtree.
    

    C++ signature :
        core::pose::Pose return_region(core::pose::Pose {lvalue},unsigned long,unsigned long)

setup_single_loop_double_arm_remodeling_foldtree(...)

 

setup_single_loop_double_arm_remodeling_foldtree( (Pose)pose, (int)Nter_loop_start, (int)Cter_loop_end, (int)end [, (bool)loop_modeling=False]) -> None :
    ///////////////////////////////////////////////////////////////
     ****Nter_loop_start---->Piece | <----Nter_loop_end****
     Insert will move in cartesian space
     s lower_cutpoint for CCD and loops is end_-1
    
    

    C++ signature :
        void setup_single_loop_double_arm_remodeling_foldtree(core::pose::Pose {lvalue},unsigned long,unsigned long,unsigned long [,bool=False])

setup_single_loop_single_arm_remodeling_foldtree(...)

 

setup_single_loop_single_arm_remodeling_foldtree( (Pose)pose, (int)Nter_loop_start, (int)Cter_loop_end [, (bool)loop_modeling=False]) -> None :
    /////////////////////////////////////////////////////////////////////////////
    /////////////////////////////////////////////////////////////////////////////
    //////////////////////////////////////////////////////////////
     ****Nter_loop_start---->Piece----> | Cter_loop_end****
      Default FoldTree used by AnchoredGraftMover.
     s lower_cutpoint for CCD and loops is Cter_loop_end-1
    
    

    C++ signature :
        void setup_single_loop_single_arm_remodeling_foldtree(core::pose::Pose {lvalue},unsigned long,unsigned long [,bool=False])

superimpose_overhangs_heavy(...)

 

superimpose_overhangs_heavy( (Pose)pose, (Pose)piece, (bool)ca_only, (int)start, (int)end [, (int)Nter_overhang_len=2 [, (int)Cter_overhang_length_len=2]]) -> None :
    uses rms_util to superimpose overhang residues of piece onto pose.
    Start + End denote residue number before and after the insert will be.
    For example, start = 10, end = 11 for a scaffold where the previous residues are already deleted
    or a scaffold where you are superposimposing a linker between two domains -
    one that ends at start and the other that begins at end
    

    C++ signature :
        void superimpose_overhangs_heavy(core::pose::Pose,core::pose::Pose {lvalue},bool,unsigned long,unsigned long [,unsigned long=2 [,unsigned long=2]])