Package rosetta :: Package protocols :: Package comparative_modeling :: Module _protocols_comparative_modeling_
[hide private]
[frames] | no frames]

Module _protocols_comparative_modeling_

Classes [hide private]
  AlignRmsdTargetEvaluatorCreator
creator for the AlignRmsdTargetEvaluatorCreator class
  AlignRmsdTargetEvaluatorCreatorAP
  AlignRmsdTargetEvaluatorCreatorCAP
  Align_RmsdEvaluator
protocols/comparative_modeling/Align_RmsdEvaluator.hh:35
  Align_RmsdEvaluatorAP
  Align_RmsdEvaluatorCAP
  Align_RotamerEvaluator
protocols/comparative_modeling/Align_RotamerEvaluator.hh:32
  Align_RotamerEvaluatorAP
  Align_RotamerEvaluatorCAP
  AlignmentCluster
protocols/comparative_modeling/AlignmentClustering.hh:46
  AlignmentClusterAP
  AlignmentClusterCAP
  AlignmentClustering
protocols/comparative_modeling/AlignmentClustering.hh:60
  AlignmentClusteringAP
  AlignmentClusteringCAP
  AlignmentSet
protocols/comparative_modeling/AlignmentSet.hh:28
  AlignmentSetAP
  AlignmentSetCAP
  ExtraThreadingMover
protocols/comparative_modeling/ExtraThreadingMover.hh:37
  ExtraThreadingMoverAP
  ExtraThreadingMoverCAP
  GenericJobInputter
This is the simplest implementation of JobInputter
  GenericJobInputterAP
  GenericJobInputterCAP
  GenericJobInputterCreator
protocols/comparative_modeling/GenericJobInputterCreator.hh:22
  GenericJobInputterCreatorAP
  GenericJobInputterCreatorCAP
  IgnoreSubsetConstraintSet
protocols/comparative_modeling/IgnoreSubsetConstraintSet.hh:34
  IgnoreSubsetConstraintSetAP
  IgnoreSubsetConstraintSetCAP
  LoopRelaxMover
protocols/comparative_modeling/LoopRelaxMover.hh:39
  LoopRelaxMoverAP
  LoopRelaxMoverCAP
  LoopRelaxMoverCreator
protocols/comparative_modeling/LoopRelaxMoverCreator.hh:22
  LoopRelaxMoverCreatorAP
  LoopRelaxMoverCreatorCAP
  LoopRelaxThreadingMover
protocols/comparative_modeling/LoopRelaxThreadingMover.hh:32
  LoopRelaxThreadingMoverAP
  LoopRelaxThreadingMoverCAP
  MultiThreadingMover
protocols/comparative_modeling/MultiThreadingMover.hh:35
  MultiThreadingMoverAP
  MultiThreadingMoverCAP
  PartialThreadingMover
protocols/comparative_modeling/PartialThreadingMover.hh:36
  PartialThreadingMoverAP
  PartialThreadingMoverCAP
  RecoverSideChainsMover
protocols/comparative_modeling/RecoverSideChainsMover.hh:26
  RecoverSideChainsMoverAP
  RecoverSideChainsMoverCAP
  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
  StealLigandMover
protocols/comparative_modeling/StealLigandMover.hh:32
  StealLigandMoverAP
  StealLigandMoverCAP
  StealSideChainsMover
protocols/comparative_modeling/StealSideChainsMover.hh:28
  StealSideChainsMoverAP
  StealSideChainsMoverCAP
  ThreadingJob
The InnerThreadingJob class is responsible for knowing input requirements for a given job - how many nstruct, and what the input is.
  ThreadingJobAP
  ThreadingJobCAP
  ThreadingJobInputter
This is the simplest implementation of JobInputter
  ThreadingJobInputterAP
  ThreadingJobInputterCAP
  ThreadingJobInputterCreator
protocols/comparative_modeling/ThreadingJobInputterCreator.hh:22
  ThreadingJobInputterCreatorAP
  ThreadingJobInputterCreatorCAP
  ThreadingMover
protocols/comparative_modeling/ThreadingMover.hh:38
  ThreadingMoverAP
  ThreadingMoverCAP
  __CPP_AlignRmsdTargetEvaluatorCreator__
  __CPP_Align_RmsdEvaluator__
  __CPP_Align_RotamerEvaluator__
  __CPP_ExtraThreadingMover__
  __CPP_GenericJobInputterCreator__
  __CPP_GenericJobInputter__
  __CPP_IgnoreSubsetConstraintSet__
  __CPP_LoopRelaxMoverCreator__
  __CPP_LoopRelaxMover__
  __CPP_LoopRelaxThreadingMover__
  __CPP_MultiThreadingMover__
  __CPP_PartialThreadingMover__
  __CPP_RecoverSideChainsMover__
  __CPP_StealLigandMover__
  __CPP_StealSideChainsMover__
  __CPP_ThreadingJobInputterCreator__
  __CPP_ThreadingJobInputter__
  __CPP_ThreadingMover__
Functions [hide private]
AlignmentSet :
alignments_from_cmd_line()
protocols/comparative_modeling/util.hh:108
 
bounded_loops_from_alignment(...)
bounded_loops_from_alignment( (int)num_residues, (int)min_size, (SequenceAlignment)alignment, (Loops)unaligned_regions) -> None : Identifies consecutive stretches of unaligned residues by scanning the alignment.
None :
cm_main()
Initiates LoopRelaxThreadingMover using the job distributor (jd2)
 
gather_coords(...)
gather_coords( (Pose)model, (Pose)native, (SequenceAlignment)aln, (int)natoms, (object)p1a, (object)p2a [, (str)atom_name='CA']) -> None : protocols/comparative_modeling/coord_util.hh:35
 
initialize_ss(...)
initialize_ss( (Pose)pose) -> None : protocols/comparative_modeling/util.hh:95
 
loops_are_closed(...)
loops_are_closed( (Pose)pose) -> bool : protocols/comparative_modeling/util.hh:100
 
loops_from_alignment(...)
loops_from_alignment( (int)nres, (SequenceAlignment)aln, (int)min_loop_size) -> Loops : protocols/comparative_modeling/util.hh:36
 
loops_from_transitive_alignments(...)
loops_from_transitive_alignments( (int)nres1, (SequenceAlignment)aln1, (int)nres2, (SequenceAlignment)aln2, (int)min_loop_size) -> Loops : protocols/comparative_modeling/util.hh:54
 
pick_loops_chainbreak(...)
pick_loops_chainbreak( (Pose)query_pose, (int)min_loop_size) -> Loops : protocols/comparative_modeling/util.hh:65
 
pick_loops_unaligned(...)
pick_loops_unaligned( (int)nres, (vector1_Size)unaligned_residues, (int)min_loop_size) -> Loops : protocols/comparative_modeling/util.hh:60
 
poses_from_cmd_line(...)
poses_from_cmd_line( (vector1_string)fn_list) -> object : protocols/comparative_modeling/util.hh:105
 
randomize_selected_atoms(...)
randomize_selected_atoms( (Pose)query_pose, (AtomID_Map_T_bool_T)selected) -> None : protocols/comparative_modeling/util.hh:113
 
rebuild_loops_until_closed(...)
rebuild_loops_until_closed( (Pose)query_pose, (int)min_loop_size, (int)max_times, (str)loop_mover_name) -> None : protocols/comparative_modeling/util.hh:72
 
steal_ligands(...)
steal_ligands( (Pose)dest_pose, (Pose)source_pose_in, (NamedAtomID)anchor_atom_dest, (NamedAtomID)anchor_atom_source, (object)ligand_indices) -> None : Function for stealing ligands from a given Pose and adding them to source_pose.
vector1_Pose :
templates_from_cmd_line()
protocols/comparative_modeling/util.hh:98
Variables [hide private]
  __package__ = None
Function Details [hide private]

alignments_from_cmd_line()

 
    protocols/comparative_modeling/util.hh:108

    C++ signature :
        protocols::comparative_modeling::AlignmentSet alignments_from_cmd_line()

Returns: AlignmentSet :

bounded_loops_from_alignment(...)

 

bounded_loops_from_alignment( (int)num_residues, (int)min_size, (SequenceAlignment)alignment, (Loops)unaligned_regions) -> None :
    Identifies consecutive stretches of unaligned residues by scanning
    the alignment. Each unaligned region is guaranteed to have length at least
    <min_size>. Aligned regions share this property as well, and can be obtained
    by calling the invert() method on the output parameter <unaligned_regions>.
    

    C++ signature :
        void bounded_loops_from_alignment(unsigned long,unsigned long,core::sequence::SequenceAlignment,boost::shared_ptr<protocols::loops::Loops> {lvalue})

cm_main()

 
    Initiates LoopRelaxThreadingMover using the job distributor (jd2)
    

    C++ signature :
        void cm_main()

Returns: None :

gather_coords(...)

 

gather_coords( (Pose)model, (Pose)native, (SequenceAlignment)aln, (int)natoms, (object)p1a, (object)p2a [, (str)atom_name='CA']) -> None :
    protocols/comparative_modeling/coord_util.hh:35

    C++ signature :
        void gather_coords(core::pose::Pose,core::pose::Pose,core::sequence::SequenceAlignment,int {lvalue},ObjexxFCL::FArray2D<double> {lvalue},ObjexxFCL::FArray2D<double> {lvalue} [,std::string='CA'])

initialize_ss(...)

 

initialize_ss( (Pose)pose) -> None :
    protocols/comparative_modeling/util.hh:95

    C++ signature :
        void initialize_ss(core::pose::Pose {lvalue})

loops_are_closed(...)

 

loops_are_closed( (Pose)pose) -> bool :
    protocols/comparative_modeling/util.hh:100

    C++ signature :
        bool loops_are_closed(core::pose::Pose {lvalue})

loops_from_alignment(...)

 

loops_from_alignment( (int)nres, (SequenceAlignment)aln, (int)min_loop_size) -> Loops :
    protocols/comparative_modeling/util.hh:36

    C++ signature :
        boost::shared_ptr<protocols::loops::Loops> loops_from_alignment(unsigned long,core::sequence::SequenceAlignment,unsigned long)

loops_from_transitive_alignments(...)

 

loops_from_transitive_alignments( (int)nres1, (SequenceAlignment)aln1, (int)nres2, (SequenceAlignment)aln2, (int)min_loop_size) -> Loops :
    protocols/comparative_modeling/util.hh:54

    C++ signature :
        boost::shared_ptr<protocols::loops::Loops> loops_from_transitive_alignments(unsigned long,core::sequence::SequenceAlignment,unsigned long,core::sequence::SequenceAlignment,unsigned long)

pick_loops_chainbreak(...)

 

pick_loops_chainbreak( (Pose)query_pose, (int)min_loop_size) -> Loops :
    protocols/comparative_modeling/util.hh:65

    C++ signature :
        boost::shared_ptr<protocols::loops::Loops> pick_loops_chainbreak(core::pose::Pose {lvalue},unsigned long)

pick_loops_unaligned(...)

 

pick_loops_unaligned( (int)nres, (vector1_Size)unaligned_residues, (int)min_loop_size) -> Loops :
    protocols/comparative_modeling/util.hh:60

    C++ signature :
        boost::shared_ptr<protocols::loops::Loops> pick_loops_unaligned(unsigned long,utility::vector1<unsigned long, std::allocator<unsigned long> >,unsigned long)

poses_from_cmd_line(...)

 

poses_from_cmd_line( (vector1_string)fn_list) -> object :
    protocols/comparative_modeling/util.hh:105

    C++ signature :
        std::map<std::string, core::pose::Pose, std::less<std::string>, std::allocator<std::pair<std::string const, core::pose::Pose> > > poses_from_cmd_line(utility::vector1<std::string, std::allocator<std::string> >)

randomize_selected_atoms(...)

 

randomize_selected_atoms( (Pose)query_pose, (AtomID_Map_T_bool_T)selected) -> None :
    protocols/comparative_modeling/util.hh:113

    C++ signature :
        void randomize_selected_atoms(core::pose::Pose {lvalue},core::id::AtomID_Map<bool>)

rebuild_loops_until_closed(...)

 

rebuild_loops_until_closed( (Pose)query_pose, (int)min_loop_size, (int)max_times, (str)loop_mover_name) -> None :
    protocols/comparative_modeling/util.hh:72

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

steal_ligands(...)

 

steal_ligands( (Pose)dest_pose, (Pose)source_pose_in, (NamedAtomID)anchor_atom_dest, (NamedAtomID)anchor_atom_source, (object)ligand_indices) -> None :
    Function for stealing ligands from a given Pose
    and adding them to source_pose.
    : The parameters are: @arg dest_pose Pose to which
    ligands are added.
    @arg source_pose_in Pose from which ligands and orientations
    are taken.
    @arg anchor_atom_dest anchor atom providing reference in
    dest_pose for ligand orientation.
    @arg anchor_atom_source anchor atom providing reference in
    source_pose for ligand orientation.
    @arg ligand_indices list of AtomID entries for ligand, one per
    ligand. Ligand orientation is determined by orientation between
    anchor_atom_source and each ligand AtomID.
    

    C++ signature :
        void steal_ligands(core::pose::Pose {lvalue},core::pose::Pose,core::id::NamedAtomID,core::id::NamedAtomID,utility::vector1<core::id::NamedAtomID, std::allocator<core::id::NamedAtomID> >)

templates_from_cmd_line()

 
    protocols/comparative_modeling/util.hh:98

    C++ signature :
        utility::vector1<core::pose::Pose, std::allocator<core::pose::Pose> > templates_from_cmd_line()

Returns: vector1_Pose :