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protocols/comparative_modeling/util.hh:108
C++ signature :
protocols::comparative_modeling::AlignmentSet alignments_from_cmd_line()
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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})
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Initiates LoopRelaxThreadingMover using the job distributor (jd2)
C++ signature :
void cm_main()
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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'])
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initialize_ss( (Pose)pose) -> None :
protocols/comparative_modeling/util.hh:95
C++ signature :
void initialize_ss(core::pose::Pose {lvalue})
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loops_are_closed( (Pose)pose) -> bool :
protocols/comparative_modeling/util.hh:100
C++ signature :
bool loops_are_closed(core::pose::Pose {lvalue})
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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)
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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)
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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)
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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)
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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> >)
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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>)
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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)
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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> >)
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protocols/comparative_modeling/util.hh:98
C++ signature :
utility::vector1<core::pose::Pose, std::allocator<core::pose::Pose> > templates_from_cmd_line()
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