frags¶
Bindings for protocols::frags namespace
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class
pyrosetta.rosetta.protocols.frags.FragLib¶ Bases:
pybind11_builtins.pybind11_object-
assign(self: pyrosetta.rosetta.protocols.frags.FragLib, : pyrosetta.rosetta.protocols.frags.FragLib) → pyrosetta.rosetta.protocols.frags.FragLib¶ C++: protocols::frags::FragLib::operator=(const class protocols::frags::FragLib &) –> class protocols::frags::FragLib &
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clear(self: pyrosetta.rosetta.protocols.frags.FragLib) → None¶ C++: protocols::frags::FragLib::clear() –> void
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copy_fragments(self: pyrosetta.rosetta.protocols.frags.FragLib, src: pyrosetta.rosetta.protocols.frags.FragLib) → None¶ C++: protocols::frags::FragLib::copy_fragments(const class protocols::frags::FragLib &) –> void
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delete_residue(self: pyrosetta.rosetta.protocols.frags.FragLib, seqpos: int) → None¶ C++: protocols::frags::FragLib::delete_residue(const unsigned long) –> void
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frag_sizes(self: pyrosetta.rosetta.protocols.frags.FragLib) → pyrosetta.rosetta.utility.vector1_unsigned_long¶ slow
C++: protocols::frags::FragLib::frag_sizes() const –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >
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library(self: pyrosetta.rosetta.protocols.frags.FragLib, size: int) → pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary¶ C++: protocols::frags::FragLib::library(const unsigned long) –> class protocols::frags::TorsionFragmentLibrary &
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shift(self: pyrosetta.rosetta.protocols.frags.FragLib, current2desired_offset: int) → None¶ C++: protocols::frags::FragLib::shift(const int) –> void
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class
pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary¶ Bases:
pybind11_builtins.pybind11_objecta class for collection of fragments for a single residue positionessentially a vector of TorsionFragment (owning pointers)
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append_fragment(self: pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary, fragment: pyrosetta.rosetta.protocols.frags.TorsionFragment) → None¶ append one piece of fragment at the end
C++: protocols::frags::SingleResidueTorsionFragmentLibrary::append_fragment(class std::shared_ptr<class protocols::frags::TorsionFragment>) –> void
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assign(self: pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary, : pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary) → pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary¶ C++: protocols::frags::SingleResidueTorsionFragmentLibrary::operator=(const class protocols::frags::SingleResidueTorsionFragmentLibrary &) –> class protocols::frags::SingleResidueTorsionFragmentLibrary &
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clear(self: pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary) → None¶ C++: protocols::frags::SingleResidueTorsionFragmentLibrary::clear() –> void
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copy_fragments(self: pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary, src: pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary) → None¶ C++: protocols::frags::SingleResidueTorsionFragmentLibrary::copy_fragments(const class protocols::frags::SingleResidueTorsionFragmentLibrary &) –> void
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erase(self: pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary, index: int) → None¶ erase a single fragment
C++: protocols::frags::SingleResidueTorsionFragmentLibrary::erase(const unsigned long) –> void
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insert_fragment(self: pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary, fragment: pyrosetta.rosetta.protocols.frags.TorsionFragment) → None¶ insert one piece of fragment in the front
C++: protocols::frags::SingleResidueTorsionFragmentLibrary::insert_fragment(class std::shared_ptr<class protocols::frags::TorsionFragment>) –> void
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size(self: pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary) → int¶ number of available fragment pieces for this position
C++: protocols::frags::SingleResidueTorsionFragmentLibrary::size() const –> unsigned long
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class
pyrosetta.rosetta.protocols.frags.TorsionFragment¶ Bases:
pybind11_builtins.pybind11_objecta class for single piece of torsion fragment
It stores torsion angles and secondary structure. Torsions are stored as vector of vector, such as TorsionFragment[frag_size][n_bb_torsion]; SS are stored as vector, such as TorsionFragment[frag_length]
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assign(self: pyrosetta.rosetta.protocols.frags.TorsionFragment, : pyrosetta.rosetta.protocols.frags.TorsionFragment) → pyrosetta.rosetta.protocols.frags.TorsionFragment¶ C++: protocols::frags::TorsionFragment::operator=(const class protocols::frags::TorsionFragment &) –> class protocols::frags::TorsionFragment &
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clone(self: pyrosetta.rosetta.protocols.frags.TorsionFragment) → pyrosetta.rosetta.protocols.frags.TorsionFragment¶ C++: protocols::frags::TorsionFragment::clone() const –> class std::shared_ptr<class protocols::frags::TorsionFragment>
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get_secstruct(self: pyrosetta.rosetta.protocols.frags.TorsionFragment, pos: int) → str¶ C++: protocols::frags::TorsionFragment::get_secstruct(const unsigned long) const –> char
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get_sequence(self: pyrosetta.rosetta.protocols.frags.TorsionFragment, pos: int) → str¶ C++: protocols::frags::TorsionFragment::get_sequence(const unsigned long) const –> char
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get_torsion(self: pyrosetta.rosetta.protocols.frags.TorsionFragment, pos: int, tor: int) → float¶ get value for specific torsion in this piece of fragment
C++: protocols::frags::TorsionFragment::get_torsion(const unsigned long, const unsigned long) const –> double
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insert(self: pyrosetta.rosetta.protocols.frags.TorsionFragment, pose: pyrosetta.rosetta.core.pose.Pose, begin: int) → None¶ C++: protocols::frags::TorsionFragment::insert(class core::pose::Pose &, const unsigned long) const –> void
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nbb(self: pyrosetta.rosetta.protocols.frags.TorsionFragment) → int¶ number of backbone torsions.
C++: protocols::frags::TorsionFragment::nbb() const –> unsigned long
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set_secstruct(self: pyrosetta.rosetta.protocols.frags.TorsionFragment, pos: int, setting: str) → None¶ set secstruct for this position
C++: protocols::frags::TorsionFragment::set_secstruct(const unsigned long, const char) –> void
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set_sequence(self: pyrosetta.rosetta.protocols.frags.TorsionFragment, pos: int, setting: str) → None¶ set seq for this position
C++: protocols::frags::TorsionFragment::set_sequence(const unsigned long, const char) –> void
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set_size_and_nbb(self: pyrosetta.rosetta.protocols.frags.TorsionFragment, size: int, nbb: int) → None¶ C++: protocols::frags::TorsionFragment::set_size_and_nbb(const unsigned long, const unsigned long) –> void
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set_torsion(self: pyrosetta.rosetta.protocols.frags.TorsionFragment, pos: int, tor: int, setting: float) → None¶ set value for specific torsion in this piece of fragment.
C++: protocols::frags::TorsionFragment::set_torsion(const unsigned long, const unsigned long, const double) –> void
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size(self: pyrosetta.rosetta.protocols.frags.TorsionFragment) → int¶ fragment size, 3mer or 9mer?
C++: protocols::frags::TorsionFragment::size() const –> unsigned long
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class
pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary¶ Bases:
pybind11_builtins.pybind11_objecta class for classic Rosetta fragment libraryessentially a collection of SingleResidueTorsionFragmentLibrary (indexed by residue position)
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assign(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary, : pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary) → pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary¶ C++: protocols::frags::TorsionFragmentLibrary::operator=(const class protocols::frags::TorsionFragmentLibrary &) –> class protocols::frags::TorsionFragmentLibrary &
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clear(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary) → None¶ C++: protocols::frags::TorsionFragmentLibrary::clear() –> void
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copy_fragments(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary, src: pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary) → None¶ C++: protocols::frags::TorsionFragmentLibrary::copy_fragments(const class protocols::frags::TorsionFragmentLibrary &) –> void
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delete_residue(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary, seqpos: int) → None¶ C++: protocols::frags::TorsionFragmentLibrary::delete_residue(const unsigned long) –> void
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derive_from_src_lib(*args, **kwargs)¶ Overloaded function.
- derive_from_src_lib(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary, my_size: int, src_size: int, src_lib_op: pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary) -> bool
C++: protocols::frags::TorsionFragmentLibrary::derive_from_src_lib(const unsigned long, const unsigned long, class std::shared_ptr<const class protocols::frags::TorsionFragmentLibrary>) –> bool
- derive_from_src_lib(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary, my_size: int, src_size: int, src_lib: pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary) -> bool
C++: protocols::frags::TorsionFragmentLibrary::derive_from_src_lib(const unsigned long, const unsigned long, const class protocols::frags::TorsionFragmentLibrary &) –> bool
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print(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary, os: pyrosetta.rosetta.std.ostream) → None¶ Show some info – right now just for debugging, ie not a full dump of the library
C++: protocols::frags::TorsionFragmentLibrary::print(class std::basic_ostream<char> &) const –> void
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read_file(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary, name: str, frag_size: int, nbb: int) → bool¶ C++: protocols::frags::TorsionFragmentLibrary::read_file(const class std::basic_string<char> &, const unsigned long, const unsigned long) –> bool
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resize(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary, new_size: int) → None¶ change the size of fragment library
C++: protocols::frags::TorsionFragmentLibrary::resize(const unsigned long) –> void
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shift(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary, current2desired_offset: int) → None¶ C++: protocols::frags::TorsionFragmentLibrary::shift(const int) –> void
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size(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary) → int¶ number of residues
C++: protocols::frags::TorsionFragmentLibrary::size() const –> unsigned long
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class
pyrosetta.rosetta.protocols.frags.VallData¶ Bases:
pybind11_builtins.pybind11_object/
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add_line(self: pyrosetta.rosetta.protocols.frags.VallData, sq: str, ss: str, ph: float, ps: float, om: float) → None¶ read in one more line from Vall input file
C++: protocols::frags::VallData::add_line(const char, const char, const double, const double, const double) –> void
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bigbin(self: pyrosetta.rosetta.protocols.frags.VallData) → pyrosetta.rosetta.utility.vector1_char¶ C++: protocols::frags::VallData::bigbin() const –> const class utility::vector1<char, class std::allocator<char> > &
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chain(self: pyrosetta.rosetta.protocols.frags.VallData) → pyrosetta.rosetta.utility.vector1_unsigned_long¶ C++: protocols::frags::VallData::chain() const –> const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &
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get_cheating_frags(self: pyrosetta.rosetta.protocols.frags.VallData, nfrags: int, target_seq: str, target_ss: str, target_phi: pyrosetta.rosetta.utility.vector1_double, target_psi: pyrosetta.rosetta.utility.vector1_double, target_omega: pyrosetta.rosetta.utility.vector1_double, seq_weight: float, ss_weight: float, torsion_weight: float, min_torsion_dev: float, max_torsion_dev: float, homs_to_exclude: pyrosetta.rosetta.utility.vector1_unsigned_long, library: pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary) → None¶ C++: protocols::frags::VallData::get_cheating_frags(const unsigned long, const class std::basic_string<char> &, const class std::basic_string<char> &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const double, const double, const double, const double, const double, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, class protocols::frags::SingleResidueTorsionFragmentLibrary &) const –> void
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get_frags(*args, **kwargs)¶ Overloaded function.
- get_frags(self: pyrosetta.rosetta.protocols.frags.VallData, nfrags: int, target_seq: str, target_ss: str, seq_weight: float, ss_weight: float, exclude_gly: bool, exclude_pro: bool, exclude_cis_peptides: bool, homs_to_exclude: pyrosetta.rosetta.utility.vector1_unsigned_long, library: pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary) -> None
- get_frags(self: pyrosetta.rosetta.protocols.frags.VallData, nfrags: int, target_seq: str, target_ss: str, seq_weight: float, ss_weight: float, exclude_gly: bool, exclude_pro: bool, exclude_cis_peptides: bool, homs_to_exclude: pyrosetta.rosetta.utility.vector1_unsigned_long, library: pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary, bb_weight: float) -> None
- get_frags(self: pyrosetta.rosetta.protocols.frags.VallData, nfrags: int, target_seq: str, target_ss: str, seq_weight: float, ss_weight: float, exclude_gly: bool, exclude_pro: bool, exclude_cis_peptides: bool, homs_to_exclude: pyrosetta.rosetta.utility.vector1_unsigned_long, library: pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary, bb_weight: float, target_bb: str) -> None
C++: protocols::frags::VallData::get_frags(const unsigned long, const class std::basic_string<char> &, const class std::basic_string<char> &, const double, const double, const bool, const bool, const bool, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, class protocols::frags::SingleResidueTorsionFragmentLibrary &, const double, const class std::basic_string<char> &) const –> void
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num_chains(self: pyrosetta.rosetta.protocols.frags.VallData) → int¶ number of chains
C++: protocols::frags::VallData::num_chains() const –> unsigned long
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omega(self: pyrosetta.rosetta.protocols.frags.VallData) → pyrosetta.rosetta.utility.vector1_double¶ C++: protocols::frags::VallData::omega() const –> const class utility::vector1<double, class std::allocator<double> > &
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phi(self: pyrosetta.rosetta.protocols.frags.VallData) → pyrosetta.rosetta.utility.vector1_double¶ C++: protocols::frags::VallData::phi() const –> const class utility::vector1<double, class std::allocator<double> > &
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psi(self: pyrosetta.rosetta.protocols.frags.VallData) → pyrosetta.rosetta.utility.vector1_double¶ C++: protocols::frags::VallData::psi() const –> const class utility::vector1<double, class std::allocator<double> > &
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read_file(self: pyrosetta.rosetta.protocols.frags.VallData, filename: str) → None¶ C++: protocols::frags::VallData::read_file(const class std::basic_string<char> &) –> void
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secstruct(self: pyrosetta.rosetta.protocols.frags.VallData) → pyrosetta.rosetta.utility.vector1_char¶ C++: protocols::frags::VallData::secstruct() const –> const class utility::vector1<char, class std::allocator<char> > &
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sequence(self: pyrosetta.rosetta.protocols.frags.VallData) → pyrosetta.rosetta.utility.vector1_char¶ C++: protocols::frags::VallData::sequence() const –> const class utility::vector1<char, class std::allocator<char> > &
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shrink(self: pyrosetta.rosetta.protocols.frags.VallData) → None¶ removes excess storage capacity to minimize memory usage
C++: protocols::frags::VallData::shrink() –> void
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size(self: pyrosetta.rosetta.protocols.frags.VallData) → int¶ number of lines in Vall database
C++: protocols::frags::VallData::size() const –> int
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pyrosetta.rosetta.protocols.frags.add_vall_cheating_fragments(*args, **kwargs)¶ Overloaded function.
- add_vall_cheating_fragments(frag_sizes: pyrosetta.rosetta.utility.vector1_unsigned_long, nfrags: int, pose: pyrosetta.rosetta.core.pose.Pose, mm: pyrosetta.rosetta.core.kinematics.MoveMap, secstruct: str, seq_weight: float, ss_weight: float, torsion_weight: float, min_torsion_dev: float, max_torsion_dev: float, frag_lib: pyrosetta.rosetta.protocols.frags.FragLib) -> None
- add_vall_cheating_fragments(frag_sizes: pyrosetta.rosetta.utility.vector1_unsigned_long, nfrags: int, pose: pyrosetta.rosetta.core.pose.Pose, mm: pyrosetta.rosetta.core.kinematics.MoveMap, secstruct: str, seq_weight: float, ss_weight: float, torsion_weight: float, min_torsion_dev: float, max_torsion_dev: float, frag_lib: pyrosetta.rosetta.protocols.frags.FragLib, homs_to_exclude: pyrosetta.rosetta.utility.vector1_unsigned_long) -> None
C++: protocols::frags::add_vall_cheating_fragments(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, const unsigned long, const class core::pose::Pose &, const class core::kinematics::MoveMap &, const class std::basic_string<char> &, const double, const double, const double, const double, const double, class protocols::frags::FragLib &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void
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pyrosetta.rosetta.protocols.frags.add_vall_fragments(*args, **kwargs)¶ Overloaded function.
- add_vall_fragments(frag_sizes: pyrosetta.rosetta.utility.vector1_unsigned_long, nfrags: int, pose: pyrosetta.rosetta.core.pose.Pose, mm: pyrosetta.rosetta.core.kinematics.MoveMap, secstruct: str, seq_weight: float, ss_weight: float, frag_lib: pyrosetta.rosetta.protocols.frags.FragLib) -> None
- add_vall_fragments(frag_sizes: pyrosetta.rosetta.utility.vector1_unsigned_long, nfrags: int, pose: pyrosetta.rosetta.core.pose.Pose, mm: pyrosetta.rosetta.core.kinematics.MoveMap, secstruct: str, seq_weight: float, ss_weight: float, frag_lib: pyrosetta.rosetta.protocols.frags.FragLib, homs_to_exclude: pyrosetta.rosetta.utility.vector1_unsigned_long) -> None
- add_vall_fragments(frag_sizes: pyrosetta.rosetta.utility.vector1_unsigned_long, nfrags: int, pose: pyrosetta.rosetta.core.pose.Pose, mm: pyrosetta.rosetta.core.kinematics.MoveMap, secstruct: str, seq_weight: float, ss_weight: float, frag_lib: pyrosetta.rosetta.protocols.frags.FragLib, homs_to_exclude: pyrosetta.rosetta.utility.vector1_unsigned_long, bb_weight: float) -> None
- add_vall_fragments(frag_sizes: pyrosetta.rosetta.utility.vector1_unsigned_long, nfrags: int, pose: pyrosetta.rosetta.core.pose.Pose, mm: pyrosetta.rosetta.core.kinematics.MoveMap, secstruct: str, seq_weight: float, ss_weight: float, frag_lib: pyrosetta.rosetta.protocols.frags.FragLib, homs_to_exclude: pyrosetta.rosetta.utility.vector1_unsigned_long, bb_weight: float, bigbins: str) -> None
- add_vall_fragments(frag_sizes: pyrosetta.rosetta.utility.vector1_unsigned_long, nfrags: int, pose: pyrosetta.rosetta.core.pose.Pose, mm: pyrosetta.rosetta.core.kinematics.MoveMap, secstruct: str, seq_weight: float, ss_weight: float, frag_lib: pyrosetta.rosetta.protocols.frags.FragLib, homs_to_exclude: pyrosetta.rosetta.utility.vector1_unsigned_long, bb_weight: float, bigbins: str, inputseq: str) -> None
C++: protocols::frags::add_vall_fragments(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, const unsigned long, const class core::pose::Pose &, const class core::kinematics::MoveMap &, const class std::basic_string<char> &, const double, const double, class protocols::frags::FragLib &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, const double, const class std::basic_string<char> &, const class std::basic_string<char> &) –> void
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pyrosetta.rosetta.protocols.frags.dump_vall_fasta(fasta_filename: str) → None¶ C++: protocols::frags::dump_vall_fasta(const class std::basic_string<char> &) –> void
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pyrosetta.rosetta.protocols.frags.fill_in_gaps(*args, **kwargs)¶ Overloaded function.
- fill_in_gaps(nfrags: int, pose: pyrosetta.rosetta.core.pose.Pose, secstruct: str, seq_weight: float, ss_weight: float, frag_lib: pyrosetta.rosetta.protocols.frags.FragLib) -> None
- fill_in_gaps(nfrags: int, pose: pyrosetta.rosetta.core.pose.Pose, secstruct: str, seq_weight: float, ss_weight: float, frag_lib: pyrosetta.rosetta.protocols.frags.FragLib, homs_to_exclude: pyrosetta.rosetta.utility.vector1_unsigned_long) -> None
- fill_in_gaps(nfrags: int, pose: pyrosetta.rosetta.core.pose.Pose, secstruct: str, seq_weight: float, ss_weight: float, frag_lib: pyrosetta.rosetta.protocols.frags.FragLib, homs_to_exclude: pyrosetta.rosetta.utility.vector1_unsigned_long, allow_uninitialized_secstruct: bool) -> None
C++: protocols::frags::fill_in_gaps(const unsigned long, const class core::pose::Pose &, const class std::basic_string<char> &, const double, const double, class protocols::frags::FragLib &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, const bool) –> void
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pyrosetta.rosetta.protocols.frags.get_cheating_frags(nfrags: int, target_seq: str, target_ss: str, target_phi: pyrosetta.rosetta.utility.vector1_double, target_psi: pyrosetta.rosetta.utility.vector1_double, target_omega: pyrosetta.rosetta.utility.vector1_double, seq_weight: float, ss_weight: float, torsion_weight: float, min_torsion_dev: float, max_torsion_dev: float, homs_to_exclude: pyrosetta.rosetta.utility.vector1_unsigned_long, library: pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary) → None¶ C++: protocols::frags::get_cheating_frags(const unsigned long, const class std::basic_string<char> &, const class std::basic_string<char> &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const double, const double, const double, const double, const double, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, class protocols::frags::SingleResidueTorsionFragmentLibrary &) –> void
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pyrosetta.rosetta.protocols.frags.get_frags(*args, **kwargs)¶ Overloaded function.
- get_frags(nfrags: int, target_seq: str, target_ss: str, seq_weight: float, ss_weight: float, exclude_gly: bool, exclude_pro: bool, exclude_cis_peptides: bool, homs_to_exclude: pyrosetta.rosetta.utility.vector1_unsigned_long, library: pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary) -> None
- get_frags(nfrags: int, target_seq: str, target_ss: str, seq_weight: float, ss_weight: float, exclude_gly: bool, exclude_pro: bool, exclude_cis_peptides: bool, homs_to_exclude: pyrosetta.rosetta.utility.vector1_unsigned_long, library: pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary, bb_weight: float) -> None
- get_frags(nfrags: int, target_seq: str, target_ss: str, seq_weight: float, ss_weight: float, exclude_gly: bool, exclude_pro: bool, exclude_cis_peptides: bool, homs_to_exclude: pyrosetta.rosetta.utility.vector1_unsigned_long, library: pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary, bb_weight: float, target_bb: str) -> None
handles loading the vall if necessary
C++: protocols::frags::get_frags(const unsigned long, const class std::basic_string<char> &, const class std::basic_string<char> &, const double, const double, const bool, const bool, const bool, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, class protocols::frags::SingleResidueTorsionFragmentLibrary &, const double, const class std::basic_string<char> &) –> void
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pyrosetta.rosetta.protocols.frags.heap_down(heap: ObjexxFCL::FArray1A<int>, coheap: ObjexxFCL::FArray1A<float>, index_in: int) → None¶ C++: protocols::frags::heap_down(class ObjexxFCL::FArray1A<int>, class ObjexxFCL::FArray1A<float>, int) –> void
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pyrosetta.rosetta.protocols.frags.heap_extract(heap: ObjexxFCL::FArray1A<int>, coheap: ObjexxFCL::FArray1A<float>, val: int, coval: float, err: bool) → None¶ C++: protocols::frags::heap_extract(class ObjexxFCL::FArray1A<int>, class ObjexxFCL::FArray1A<float>, int &, float &, bool &) –> void
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pyrosetta.rosetta.protocols.frags.heap_init(heap: ObjexxFCL::FArray1A<int>, coheap: ObjexxFCL::FArray1A<float>, max_items: int) → None¶ C++: protocols::frags::heap_init(class ObjexxFCL::FArray1A<int>, class ObjexxFCL::FArray1A<float>, int) –> void
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pyrosetta.rosetta.protocols.frags.heap_insert(heap: ObjexxFCL::FArray1A<int>, coheap: ObjexxFCL::FArray1A<float>, val: int, coval: float, err: bool) → None¶ C++: protocols::frags::heap_insert(class ObjexxFCL::FArray1A<int>, class ObjexxFCL::FArray1A<float>, int, float, bool &) –> void
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pyrosetta.rosetta.protocols.frags.heap_replace(heap: ObjexxFCL::FArray1A<int>, coheap: ObjexxFCL::FArray1A<float>, val: int, coval: float) → None¶ C++: protocols::frags::heap_replace(class ObjexxFCL::FArray1A<int>, class ObjexxFCL::FArray1A<float>, int, float) –> void
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pyrosetta.rosetta.protocols.frags.heap_up(heap: ObjexxFCL::FArray1A<int>, coheap: ObjexxFCL::FArray1A<float>, index_in: int) → None¶ C++: protocols::frags::heap_up(class ObjexxFCL::FArray1A<int>, class ObjexxFCL::FArray1A<float>, int &) –> void
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pyrosetta.rosetta.protocols.frags.insert_fragment(*args, **kwargs)¶ Overloaded function.
- insert_fragment(begin: int, end: int, pose: pyrosetta.rosetta.core.pose.Pose, lib: pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary) -> None
- insert_fragment(begin: int, end: int, pose: pyrosetta.rosetta.core.pose.Pose, lib: pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary, desired_insert_pos: int) -> None
C++: protocols::frags::insert_fragment(const int, const int, class core::pose::Pose &, const class protocols::frags::TorsionFragmentLibrary &, const int) –> void
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pyrosetta.rosetta.protocols.frags.insert_random_fragments_in_flexible_protein_regions(flex_protein: pyrosetta.rosetta.utility.vector1_unsigned_long, frag_lib: pyrosetta.rosetta.protocols.frags.FragLib, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::frags::insert_random_fragments_in_flexible_protein_regions(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, const class protocols::frags::FragLib &, class core::pose::Pose &) –> void
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pyrosetta.rosetta.protocols.frags.setup_vall_cheating_fragments(*args, **kwargs)¶ Overloaded function.
- setup_vall_cheating_fragments(frag_sizes: pyrosetta.rosetta.utility.vector1_unsigned_long, nfrags: int, pose: pyrosetta.rosetta.core.pose.Pose, mm: pyrosetta.rosetta.core.kinematics.MoveMap, secstruct: str, seq_weight: float, ss_weight: float, torsion_weight: float, min_torsion_dev: float, max_torsion_dev: float) -> pyrosetta.rosetta.protocols.frags.FragLib
- setup_vall_cheating_fragments(frag_sizes: pyrosetta.rosetta.utility.vector1_unsigned_long, nfrags: int, pose: pyrosetta.rosetta.core.pose.Pose, mm: pyrosetta.rosetta.core.kinematics.MoveMap, secstruct: str, seq_weight: float, ss_weight: float, torsion_weight: float, min_torsion_dev: float, max_torsion_dev: float, homs_to_exclude: pyrosetta.rosetta.utility.vector1_unsigned_long) -> pyrosetta.rosetta.protocols.frags.FragLib
C++: protocols::frags::setup_vall_cheating_fragments(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, const unsigned long, const class core::pose::Pose &, const class core::kinematics::MoveMap &, const class std::basic_string<char> &, const double, const double, const double, const double, const double, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> class std::shared_ptr<class protocols::frags::FragLib>
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pyrosetta.rosetta.protocols.frags.setup_vall_fragments(*args, **kwargs)¶ Overloaded function.
- setup_vall_fragments(frag_sizes: pyrosetta.rosetta.utility.vector1_unsigned_long, nfrags: int, pose: pyrosetta.rosetta.core.pose.Pose, mm: pyrosetta.rosetta.core.kinematics.MoveMap, secstruct: str, seq_weight: float, ss_weight: float) -> pyrosetta.rosetta.protocols.frags.FragLib
- setup_vall_fragments(frag_sizes: pyrosetta.rosetta.utility.vector1_unsigned_long, nfrags: int, pose: pyrosetta.rosetta.core.pose.Pose, mm: pyrosetta.rosetta.core.kinematics.MoveMap, secstruct: str, seq_weight: float, ss_weight: float, homs_to_exclude: pyrosetta.rosetta.utility.vector1_unsigned_long) -> pyrosetta.rosetta.protocols.frags.FragLib
C++: protocols::frags::setup_vall_fragments(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, const unsigned long, const class core::pose::Pose &, const class core::kinematics::MoveMap &, const class std::basic_string<char> &, const double, const double, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> class std::shared_ptr<class protocols::frags::FragLib>
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pyrosetta.rosetta.protocols.frags.ss_length_check(min_len_helix: int, min_len_strand: int, pose: pyrosetta.rosetta.core.pose.Pose) → bool¶ C++: protocols::frags::ss_length_check(const unsigned long, const unsigned long, const class core::pose::Pose &) –> bool
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pyrosetta.rosetta.protocols.frags.torsion2big_bin(phi: float, psi: float, omega: float) → str¶ C++: protocols::frags::torsion2big_bin(const double, const double, const double) –> char