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Embedding protocols/membrane/geometry/Embedding.hh:52 |
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| EmbeddingAP | |||
| EmbeddingCAP | |||
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EmbeddingDef Embedding Setup Helper Class |
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| EmbeddingDefAP | |||
| EmbeddingDefCAP | |||
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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. |
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| SingletonBase_T_core_chemical_ChemicalManager_TAP | |||
| SingletonBase_T_core_chemical_ChemicalManager_TCAP | |||
| __CPP_EmbeddingDef__ | |||
| __CPP_Embedding__ | |||
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__package__ = None
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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> > >)
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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> > >)
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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)
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check_vector( (xyzVector_Real)vector) -> None :
Check reasonable range of vector
C++ signature :
void check_vector(numeric::xyzVector<double>)
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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})
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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)
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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})
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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)
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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})
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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})
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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)
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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>)
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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})
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