Package rosetta :: Package protocols :: Package membrane :: Package geometry :: Module _protocols_membrane_geometry_
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Module _protocols_membrane_geometry_

Classes [hide private]
  Embedding
protocols/membrane/geometry/Embedding.hh:52
  EmbeddingAP
  EmbeddingCAP
  EmbeddingDef
Embedding Setup Helper Class
  EmbeddingDefAP
  EmbeddingDefCAP
  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_EmbeddingDef__
  __CPP_Embedding__
Functions [hide private]
 
average_antiparallel_embeddings(...)
average_antiparallel_embeddings( (object)parts) -> EmbeddingDef : Average EmbeddingDefs after first inverting some vectors accounting for topology Get average center and normal from a vector of EmbeddingDefs
 
average_embeddings(...)
average_embeddings( (object)parts) -> EmbeddingDef : Average EmbeddingDefs as they are (without vector inversion accounting for topology) Get average center and normal from a vector of EmbeddingDefs
 
center_of_mass(...)
center_of_mass( (Pose)pose, (int)start, (int)stop) -> xyzVector_Real : ///////////// Utility Functions from Docking Protocol - Geometry Util for Center of Mass //////////////// Center of Mass Calculates the center of mass of a pose - Stop and start positions (or residues) used ot find the starting and finishing locations the start and stop positions (or residues) within the pose are used to find the starting and finishing locations
 
check_vector(...)
check_vector( (xyzVector_Real)vector) -> None : Check reasonable range of vector
 
compute_structure_based_embedding(...)
compute_structure_based_embedding( (Pose)pose) -> EmbeddingDef : Compute Membrane Center/Normal from Membrane Spanning topology, uses topology from MembraneInfo
 
get_chain_and_z(...)
get_chain_and_z( (Pose)pose) -> object : Get z-coord and chainID Helper function that creates input for SpanningTopology which is not built at the time the Pose is built returns a pair of vectors: vector1 is z-coord of CA atoms of the pose vector2 is chainID of CA atoms of the pose
 
get_secstruct(...)
get_secstruct( (Pose)pose) -> vector1_char : Get secondary structure of the pose Helper function that gets the secondary structure vector from the pose
 
membrane_axis(...)
membrane_axis( (Pose), (int)jumpnum) -> xyzVector_Real : Calculates translation axis lying in the membrane (= projection of COM axis into the membrane plane)
 
membrane_normal_to_length_15(...)
membrane_normal_to_length_15( (Pose)pose) -> None : Normalize normal vector to length 15 for visualization
 
reorder_membrane_foldtree(...)
reorder_membrane_foldtree( (Pose)pose) -> None : Set membrane residue to root of foldtree Requires MembraneInfo to be constructed beforehand; use AddMembraneMover to do that
 
residue_center_of_mass(...)
residue_center_of_mass( (Pose)pose, (int)start, (int)stop) -> int : Residue Center of Mass Calcualte the center of mass of a pose.
 
return_nearest_residue(...)
return_nearest_residue( (Pose)pose, (int)begin, (int)end, (xyzVector_Real)center) -> int : Return nearest residue Find the residue nearest some position passed in (normally a center of mass) Monica Berrondo, Modified by Javier Castellanos and Rebecca Alford
 
split_topology_by_jump(...)
split_topology_by_jump( (Pose)pose, (int)jumpnum, (SpanningTopology)topo, (Pose)pose_up, (Pose)pose_down, (SpanningTopology)topo_up, (SpanningTopology)topo_down) -> None : Splits the SpanningTopology object into two objects, depending on given jump number This is useful for calculating an embedding for parts of the structure: this can now easily be accomplished by creating two empty topology objects, call this function, and then use both topology objects and subposes to call compute_structure_based_membrane_embedding
Variables [hide private]
  __package__ = None
Function Details [hide private]

average_antiparallel_embeddings(...)

 

average_antiparallel_embeddings( (object)parts) -> EmbeddingDef :
    Average EmbeddingDefs after first inverting some vectors accounting for topology
    Get average center and normal from a vector of EmbeddingDefs
    

    C++ signature :
        boost::shared_ptr<protocols::membrane::geometry::EmbeddingDef> average_antiparallel_embeddings(utility::vector1<boost::shared_ptr<protocols::membrane::geometry::EmbeddingDef>, std::allocator<boost::shared_ptr<protocols::membrane::geometry::EmbeddingDef> > >)

average_embeddings(...)

 

average_embeddings( (object)parts) -> EmbeddingDef :
    Average EmbeddingDefs as they are (without vector inversion accounting for topology)
    Get average center and normal from a vector of EmbeddingDefs
    

    C++ signature :
        boost::shared_ptr<protocols::membrane::geometry::EmbeddingDef> average_embeddings(utility::vector1<boost::shared_ptr<protocols::membrane::geometry::EmbeddingDef>, std::allocator<boost::shared_ptr<protocols::membrane::geometry::EmbeddingDef> > >)

center_of_mass(...)

 

center_of_mass( (Pose)pose, (int)start, (int)stop) -> xyzVector_Real :
    ///////////// Utility Functions from Docking Protocol - Geometry Util for Center of Mass ////////////////
     Center of Mass
     Calculates the center of mass of a pose - Stop and start positions (or residues)
                 used ot find the starting and finishing locations
                                the start and stop positions (or residues) within the pose are used to
                                find the starting and finishing locations
    
     Monica Berrondo, Modified by Javier Castellanos and Rebecca Alford
    

    C++ signature :
        numeric::xyzVector<double> center_of_mass(core::pose::Pose,long,long)

check_vector(...)

 

check_vector( (xyzVector_Real)vector) -> None :
    Check reasonable range of vector
    

    C++ signature :
        void check_vector(numeric::xyzVector<double>)

compute_structure_based_embedding(...)

 

compute_structure_based_embedding( (Pose)pose) -> EmbeddingDef :
    Compute Membrane Center/Normal from Membrane Spanning
    topology, uses topology from MembraneInfo
    

    C++ signature :
        boost::shared_ptr<protocols::membrane::geometry::EmbeddingDef> compute_structure_based_embedding(core::pose::Pose)

compute_structure_based_embedding( (Pose)pose, (SpanningTopology)topo) -> EmbeddingDef :
    Compute Membrane Center/Normal from Membrane Spanning
    topology
    

    C++ signature :
        boost::shared_ptr<protocols::membrane::geometry::EmbeddingDef> compute_structure_based_embedding(core::pose::Pose,core::conformation::membrane::SpanningTopology)

compute_structure_based_embedding( (Pose)pose, (xyzVector_Real)center, (xyzVector_Real)normal) -> None :
    Compute Membrane Center/Normal from Membrane Spanning
    topology, uses topology from MembraneInfo
    

    C++ signature :
        void compute_structure_based_embedding(core::pose::Pose,numeric::xyzVector<double> {lvalue},numeric::xyzVector<double> {lvalue})

compute_structure_based_embedding( (Pose)pose, (SpanningTopology)topology, (xyzVector_Real)center, (xyzVector_Real)normal) -> None :
    Compute Membrane Center/Normal from Membrane Spanning
    topology
    

    C++ signature :
        void compute_structure_based_embedding(core::pose::Pose,core::conformation::membrane::SpanningTopology,numeric::xyzVector<double> {lvalue},numeric::xyzVector<double> {lvalue})

get_chain_and_z(...)

 

get_chain_and_z( (Pose)pose) -> object :
    Get z-coord and chainID
    Helper function that creates input for SpanningTopology
                        which is not built at the time the Pose is built
                        returns a pair of vectors:
                        vector1 is z-coord of CA atoms of the pose
                        vector2 is chainID of CA atoms of the pose
    

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

get_secstruct(...)

 

get_secstruct( (Pose)pose) -> vector1_char :
    Get secondary structure of the pose
    Helper function that gets the secondary structure vector from the pose
    

    C++ signature :
        utility::vector1<char, std::allocator<char> > get_secstruct(core::pose::Pose {lvalue})

membrane_axis(...)

 

membrane_axis( (Pose), (int)jumpnum) -> xyzVector_Real :
    Calculates translation axis lying in the membrane (= projection of COM axis into the membrane plane)
    

    C++ signature :
        numeric::xyzVector<double> membrane_axis(core::pose::Pose {lvalue},int)

membrane_normal_to_length_15(...)

 

membrane_normal_to_length_15( (Pose)pose) -> None :
    Normalize normal vector to length 15 for visualization
    

    C++ signature :
        void membrane_normal_to_length_15(core::pose::Pose {lvalue})

reorder_membrane_foldtree(...)

 

reorder_membrane_foldtree( (Pose)pose) -> None :
    Set membrane residue to root of foldtree
    Requires MembraneInfo to be constructed beforehand;
                 use AddMembraneMover to do that
    

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

residue_center_of_mass(...)

 

residue_center_of_mass( (Pose)pose, (int)start, (int)stop) -> int :
    Residue Center of Mass
    Calcualte the center of mass of a pose.
    Monica Berrondo, Modified by Javier Castellanos and Rebecca Alford
    

    C++ signature :
        long residue_center_of_mass(core::pose::Pose,long,long)

return_nearest_residue(...)

 

return_nearest_residue( (Pose)pose, (int)begin, (int)end, (xyzVector_Real)center) -> int :
    Return nearest residue
    Find the residue nearest some position passed in (normally a center of mass)
    Monica Berrondo, Modified by Javier Castellanos and Rebecca Alford
    

    C++ signature :
        long return_nearest_residue(core::pose::Pose,long,long,numeric::xyzVector<double>)

split_topology_by_jump(...)

 

split_topology_by_jump( (Pose)pose, (int)jumpnum, (SpanningTopology)topo, (Pose)pose_up, (Pose)pose_down, (SpanningTopology)topo_up, (SpanningTopology)topo_down) -> None :
    Splits the SpanningTopology object into two objects, depending on
                given jump number
    This is useful for calculating an embedding for parts of the
                structure: this can now easily be accomplished by creating two
                empty topology objects, call this function, and then use both topology
                objects and subposes to call compute_structure_based_membrane_embedding
    

    C++ signature :
        void split_topology_by_jump(core::pose::Pose,unsigned long,core::conformation::membrane::SpanningTopology,core::pose::Pose {lvalue},core::pose::Pose {lvalue},core::conformation::membrane::SpanningTopology {lvalue},core::conformation::membrane::SpanningTopology {lvalue})