frags¶
Bindings for protocols::frags namespace
- class pyrosetta.rosetta.protocols.frags.FragLib¶
Bases:
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 &
- clear(self: pyrosetta.rosetta.protocols.frags.FragLib) None ¶
C++: protocols::frags::FragLib::clear() –> void
- 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
- delete_residue(self: pyrosetta.rosetta.protocols.frags.FragLib, seqpos: int) None ¶
C++: protocols::frags::FragLib::delete_residue(const unsigned long) –> void
- 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> >
- 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 &
- shift(self: pyrosetta.rosetta.protocols.frags.FragLib, current2desired_offset: int) None ¶
C++: protocols::frags::FragLib::shift(const int) –> void
- class pyrosetta.rosetta.protocols.frags.RMSVallData¶
Bases:
pybind11_object
- X(self: pyrosetta.rosetta.protocols.frags.RMSVallData) pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t ¶
C++: protocols::frags::RMSVallData::X() const –> const class utility::vector1<class numeric::xyzVector<double>, class std::allocator<class numeric::xyzVector<double> > > &
- add_line(self: pyrosetta.rosetta.protocols.frags.RMSVallData, sq: str, ss: str, x: float, y: float, z: float, ph: float, ps: float, om: float) None ¶
read in one more line from Vall input file
C++: protocols::frags::RMSVallData::add_line(const char, const char, const double, const double, const double, const double, const double, const double) –> void
- get_frags(*args, **kwargs)¶
Overloaded function.
get_frags(self: pyrosetta.rosetta.protocols.frags.RMSVallData, nfrags: int, templ: pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t, pref_seq: str, force_ss: str, frame: pyrosetta.rosetta.core.fragment.Frame) -> None
get_frags(self: pyrosetta.rosetta.protocols.frags.RMSVallData, nfrags: int, templ: pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t, pref_seq: str, force_ss: str, frame: pyrosetta.rosetta.core.fragment.Frame, randomness: float) -> None
get_frags(self: pyrosetta.rosetta.protocols.frags.RMSVallData, nfrags: int, templ: pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t, pref_seq: str, force_ss: str, frame: pyrosetta.rosetta.core.fragment.Frame, randomness: float, oversample: float) -> None
C++: protocols::frags::RMSVallData::get_frags(const unsigned long, const class utility::vector1<class numeric::xyzVector<double>, class std::allocator<class numeric::xyzVector<double> > > &, const std::string &, const char, class std::shared_ptr<class core::fragment::Frame> &, double, double) const –> void
- omega(self: pyrosetta.rosetta.protocols.frags.RMSVallData) pyrosetta.rosetta.utility.vector1_double ¶
C++: protocols::frags::RMSVallData::omega() const –> const class utility::vector1<double, class std::allocator<double> > &
- phi(self: pyrosetta.rosetta.protocols.frags.RMSVallData) pyrosetta.rosetta.utility.vector1_double ¶
C++: protocols::frags::RMSVallData::phi() const –> const class utility::vector1<double, class std::allocator<double> > &
- psi(self: pyrosetta.rosetta.protocols.frags.RMSVallData) pyrosetta.rosetta.utility.vector1_double ¶
C++: protocols::frags::RMSVallData::psi() const –> const class utility::vector1<double, class std::allocator<double> > &
- read_file(self: pyrosetta.rosetta.protocols.frags.RMSVallData, filename: str) None ¶
C++: protocols::frags::RMSVallData::read_file(const std::string &) –> void
- secstruct(self: pyrosetta.rosetta.protocols.frags.RMSVallData) pyrosetta.rosetta.utility.vector1_char ¶
C++: protocols::frags::RMSVallData::secstruct() const –> const class utility::vector1<char, class std::allocator<char> > &
- sequence(self: pyrosetta.rosetta.protocols.frags.RMSVallData) pyrosetta.rosetta.utility.vector1_char ¶
C++: protocols::frags::RMSVallData::sequence() const –> const class utility::vector1<char, class std::allocator<char> > &
- shrink(self: pyrosetta.rosetta.protocols.frags.RMSVallData) None ¶
removes excess storage capacity to minimize memory usage
C++: protocols::frags::RMSVallData::shrink() –> void
- size(self: pyrosetta.rosetta.protocols.frags.RMSVallData) int ¶
number of lines in Vall database
C++: protocols::frags::RMSVallData::size() const –> int
- class pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary¶
Bases:
pybind11_object
a class for collection of fragments for a single residue position
essentially a vector of TorsionFragment (owning pointers)
- 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
- 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 &
- clear(self: pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary) None ¶
C++: protocols::frags::SingleResidueTorsionFragmentLibrary::clear() –> void
- 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
- erase(self: pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary, index: int) None ¶
erase a single fragment
C++: protocols::frags::SingleResidueTorsionFragmentLibrary::erase(const unsigned long) –> void
- 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
- size(self: pyrosetta.rosetta.protocols.frags.SingleResidueTorsionFragmentLibrary) int ¶
number of available fragment pieces for this position
C++: protocols::frags::SingleResidueTorsionFragmentLibrary::size() const –> unsigned long
- class pyrosetta.rosetta.protocols.frags.TorsionFragment¶
Bases:
pybind11_object
a 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]
- 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 &
- 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>
- get_secstruct(self: pyrosetta.rosetta.protocols.frags.TorsionFragment, pos: int) str ¶
C++: protocols::frags::TorsionFragment::get_secstruct(const unsigned long) const –> char
- get_sequence(self: pyrosetta.rosetta.protocols.frags.TorsionFragment, pos: int) str ¶
C++: protocols::frags::TorsionFragment::get_sequence(const unsigned long) const –> char
- 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
- 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
- nbb(self: pyrosetta.rosetta.protocols.frags.TorsionFragment) int ¶
number of backbone torsions.
C++: protocols::frags::TorsionFragment::nbb() const –> unsigned long
- 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
- 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
- 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
- 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
- size(self: pyrosetta.rosetta.protocols.frags.TorsionFragment) int ¶
fragment size, 3mer or 9mer?
C++: protocols::frags::TorsionFragment::size() const –> unsigned long
- class pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary¶
Bases:
pybind11_object
a class for classic Rosetta fragment library
essentially a collection of SingleResidueTorsionFragmentLibrary (indexed by residue position)
- 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 &
- clear(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary) None ¶
C++: protocols::frags::TorsionFragmentLibrary::clear() –> void
- 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
- delete_residue(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary, seqpos: int) None ¶
C++: protocols::frags::TorsionFragmentLibrary::delete_residue(const unsigned long) –> void
- 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
- 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(std::ostream &) const –> void
- read_file(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary, name: str, frag_size: int, nbb: int) bool ¶
C++: protocols::frags::TorsionFragmentLibrary::read_file(const std::string &, const unsigned long, const unsigned long) –> bool
- 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
- shift(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary, current2desired_offset: int) None ¶
C++: protocols::frags::TorsionFragmentLibrary::shift(const int) –> void
- size(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentLibrary) int ¶
number of residues
C++: protocols::frags::TorsionFragmentLibrary::size() const –> unsigned long
- class pyrosetta.rosetta.protocols.frags.TorsionFragmentMover¶
Bases:
Mover
- apply(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentMover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::frags::TorsionFragmentMover::apply(class core::pose::Pose &) –> void
- assign(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentMover, : pyrosetta.rosetta.protocols.frags.TorsionFragmentMover) pyrosetta.rosetta.protocols.frags.TorsionFragmentMover ¶
C++: protocols::frags::TorsionFragmentMover::operator=(const class protocols::frags::TorsionFragmentMover &) –> class protocols::frags::TorsionFragmentMover &
- check_ss_lengths(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentMover, setting: bool) None ¶
C++: protocols::frags::TorsionFragmentMover::check_ss_lengths(const bool) –> void
- clear_info(self: pyrosetta.rosetta.protocols.moves.Mover) None ¶
Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling apply
C++: protocols::moves::Mover::clear_info() –> void
- clone(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.protocols.moves.Mover ¶
Return a clone of the Mover object.
C++: protocols::moves::Mover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
- create(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
- frag_size(*args, **kwargs)¶
Overloaded function.
frag_size(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentMover) -> int
C++: protocols::frags::TorsionFragmentMover::frag_size() const –> unsigned long
frag_size(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentMover, setting: int) -> None
C++: protocols::frags::TorsionFragmentMover::frag_size(const unsigned long) –> void
- fresh_instance(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.protocols.moves.Mover ¶
Generates a new Mover object freshly created with the default ctor.
C++: protocols::moves::Mover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
- get_additional_output(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.core.pose.Pose ¶
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
Supported in JD2. Will attempt to grab additional poses until a nullptr is returned.
C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
- get_current_job(self: pyrosetta.rosetta.protocols.moves.Mover) protocols::jobdist::BasicJob ¶
C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
- get_current_tag(self: pyrosetta.rosetta.protocols.moves.Mover) str ¶
- A tag is a unique identifier used to identify structures produced
by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
- get_input_pose(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
- get_last_move_status(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.protocols.moves.MoverStatus ¶
returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
- get_name(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentMover) str ¶
C++: protocols::frags::TorsionFragmentMover::get_name() const –> std::string
- get_native_pose(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t ¶
C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
- get_type(self: pyrosetta.rosetta.protocols.moves.Mover) str ¶
C++: protocols::moves::Mover::get_type() const –> std::string
- info(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.std.list_std_string_t ¶
non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
- last_inserted_frag_begin(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentMover) int ¶
C++: protocols::frags::TorsionFragmentMover::last_inserted_frag_begin() const –> unsigned long
- last_proposal_density_ratio(self: pyrosetta.rosetta.protocols.moves.Mover) float ¶
C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
- min_len_helix(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentMover, setting: int) None ¶
C++: protocols::frags::TorsionFragmentMover::min_len_helix(const unsigned long) –> void
- min_len_strand(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentMover, setting: int) None ¶
C++: protocols::frags::TorsionFragmentMover::min_len_strand(const unsigned long) –> void
- static name() str ¶
C++: protocols::moves::Mover::name() –> std::string
- parse_my_tag(self: pyrosetta.rosetta.protocols.moves.Mover, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) None ¶
Called by MoverFactory when constructing new Movers. Takes care of the specific mover’s parsing.
C++: protocols::moves::Mover::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- pose_passes_ss_length_check(self: pyrosetta.rosetta.protocols.frags.TorsionFragmentMover, pose: pyrosetta.rosetta.core.pose.Pose) bool ¶
C++: protocols::frags::TorsionFragmentMover::pose_passes_ss_length_check(const class core::pose::Pose &) const –> bool
- provide_citation_info(self: pyrosetta.rosetta.protocols.moves.Mover, : pyrosetta.rosetta.basic.citation_manager.CitationCollectionList) None ¶
- Provide citations to the passed CitationCollectionList
Subclasses should add the info for themselves and any other classes they use.
The default implementation of this function does nothing. It may be overriden by movers wishing to provide citation information.
C++: protocols::moves::Mover::provide_citation_info(class basic::citation_manager::CitationCollectionList &) const –> void
- static register_options() None ¶
Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.
C++: protocols::moves::Mover::register_options() –> void
- reinitialize_for_each_job(self: pyrosetta.rosetta.protocols.moves.Mover) bool ¶
- Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
- reinitialize_for_new_input(self: pyrosetta.rosetta.protocols.moves.Mover) bool ¶
- Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
- reset_status(self: pyrosetta.rosetta.protocols.moves.Mover) None ¶
resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
- set_current_job(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) None ¶
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
- set_current_tag(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) None ¶
C++: protocols::moves::Mover::set_current_tag(const std::string &) –> void
- set_input_pose(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
- set_native_pose(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
- set_type(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) None ¶
Set the ‘type’ string
C++: protocols::moves::Mover::set_type(const std::string &) –> void
- show(*args, **kwargs)¶
Overloaded function.
show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(std::ostream &) const –> void
- test_move(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
- : Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
- type(*args, **kwargs)¶
Overloaded function.
type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
Set the ‘type’ string
C++: protocols::moves::Mover::type(const std::string &) –> void
type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
Get the set ‘type’ string
C++: protocols::moves::Mover::type() const –> const std::string &
- class pyrosetta.rosetta.protocols.frags.VallData¶
Bases:
pybind11_object
/
- 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
- 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> > &
- 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> > &
- 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 std::string &, const std::string &, 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
- 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 std::string &, const std::string &, 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 std::string &) const –> void
get_frags(self: pyrosetta.rosetta.protocols.frags.VallData, nfrags: int, target_seq: str, target_ss: pyrosetta.rosetta.utility.vector1_std_map_char_double_std_less_char_std_allocator_std_pair_const_char_double_t, 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: pyrosetta.rosetta.utility.vector1_std_map_char_double_std_less_char_std_allocator_std_pair_const_char_double_t, 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: pyrosetta.rosetta.utility.vector1_std_map_char_double_std_less_char_std_allocator_std_pair_const_char_double_t, 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 std::string &, const class utility::vector1<class std::map<char, double, struct std::less<char>, class std::allocator<struct std::pair<const char, double> > >, class std::allocator<class std::map<char, double, struct std::less<char>, class std::allocator<struct std::pair<const char, double> > > > > &, 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 std::string &) const –> void
- num_chains(self: pyrosetta.rosetta.protocols.frags.VallData) int ¶
number of chains
C++: protocols::frags::VallData::num_chains() const –> unsigned long
- 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> > &
- 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> > &
- 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> > &
- read_file(self: pyrosetta.rosetta.protocols.frags.VallData, filename: str) None ¶
C++: protocols::frags::VallData::read_file(const std::string &) –> void
- 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> > &
- 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> > &
- shrink(self: pyrosetta.rosetta.protocols.frags.VallData) None ¶
removes excess storage capacity to minimize memory usage
C++: protocols::frags::VallData::shrink() –> void
- size(self: pyrosetta.rosetta.protocols.frags.VallData) int ¶
number of lines in Vall database
C++: protocols::frags::VallData::size() const –> int
- 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 std::string &, 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
- 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 std::string &, const double, const double, class protocols::frags::FragLib &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, const double, const std::string &, const std::string &) –> void
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, target_ss: pyrosetta.rosetta.utility.vector1_std_map_char_double_std_less_char_std_allocator_std_pair_const_char_double_t, 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, target_ss: pyrosetta.rosetta.utility.vector1_std_map_char_double_std_less_char_std_allocator_std_pair_const_char_double_t, 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, target_ss: pyrosetta.rosetta.utility.vector1_std_map_char_double_std_less_char_std_allocator_std_pair_const_char_double_t, 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, target_ss: pyrosetta.rosetta.utility.vector1_std_map_char_double_std_less_char_std_allocator_std_pair_const_char_double_t, 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, target_ss: pyrosetta.rosetta.utility.vector1_std_map_char_double_std_less_char_std_allocator_std_pair_const_char_double_t, 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 utility::vector1<class std::map<char, double, struct std::less<char>, class std::allocator<struct std::pair<const char, double> > >, class std::allocator<class std::map<char, double, struct std::less<char>, class std::allocator<struct std::pair<const char, double> > > > > &, const double, const double, class protocols::frags::FragLib &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, const double, const std::string &, const std::string &) –> void
- pyrosetta.rosetta.protocols.frags.dump_vall_fasta(fasta_filename: str) None ¶
C++: protocols::frags::dump_vall_fasta(const std::string &) –> void
- 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 std::string &, const double, const double, class protocols::frags::FragLib &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, const bool) –> void
- 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 std::string &, const std::string &, 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
- 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 std::string &, const std::string &, 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 std::string &) –> void
get_frags(nfrags: int, target_seq: str, target_ss: pyrosetta.rosetta.utility.vector1_std_map_char_double_std_less_char_std_allocator_std_pair_const_char_double_t, 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: pyrosetta.rosetta.utility.vector1_std_map_char_double_std_less_char_std_allocator_std_pair_const_char_double_t, 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: pyrosetta.rosetta.utility.vector1_std_map_char_double_std_less_char_std_allocator_std_pair_const_char_double_t, 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 std::string &, const class utility::vector1<class std::map<char, double, struct std::less<char>, class std::allocator<struct std::pair<const char, double> > >, class std::allocator<class std::map<char, double, struct std::less<char>, class std::allocator<struct std::pair<const char, double> > > > > &, 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 std::string &) –> void
- pyrosetta.rosetta.protocols.frags.heap_down(heap: pyrosetta.rosetta.ObjexxFCL.FArray1A_int_t, coheap: pyrosetta.rosetta.ObjexxFCL.FArray1A_float_t, index_in: int) None ¶
C++: protocols::frags::heap_down(class ObjexxFCL::FArray1A<int>, class ObjexxFCL::FArray1A<float>, int) –> void
- pyrosetta.rosetta.protocols.frags.heap_extract(heap: pyrosetta.rosetta.ObjexxFCL.FArray1A_int_t, coheap: pyrosetta.rosetta.ObjexxFCL.FArray1A_float_t, val: int, coval: float, err: bool) None ¶
C++: protocols::frags::heap_extract(class ObjexxFCL::FArray1A<int>, class ObjexxFCL::FArray1A<float>, int &, float &, bool &) –> void
- pyrosetta.rosetta.protocols.frags.heap_init(heap: pyrosetta.rosetta.ObjexxFCL.FArray1A_int_t, coheap: pyrosetta.rosetta.ObjexxFCL.FArray1A_float_t, max_items: int) None ¶
C++: protocols::frags::heap_init(class ObjexxFCL::FArray1A<int>, class ObjexxFCL::FArray1A<float>, int) –> void
- pyrosetta.rosetta.protocols.frags.heap_insert(heap: pyrosetta.rosetta.ObjexxFCL.FArray1A_int_t, coheap: pyrosetta.rosetta.ObjexxFCL.FArray1A_float_t, val: int, coval: float, err: bool) None ¶
C++: protocols::frags::heap_insert(class ObjexxFCL::FArray1A<int>, class ObjexxFCL::FArray1A<float>, int, float, bool &) –> void
- pyrosetta.rosetta.protocols.frags.heap_replace(heap: pyrosetta.rosetta.ObjexxFCL.FArray1A_int_t, coheap: pyrosetta.rosetta.ObjexxFCL.FArray1A_float_t, val: int, coval: float) None ¶
C++: protocols::frags::heap_replace(class ObjexxFCL::FArray1A<int>, class ObjexxFCL::FArray1A<float>, int, float) –> void
- pyrosetta.rosetta.protocols.frags.heap_up(heap: pyrosetta.rosetta.ObjexxFCL.FArray1A_int_t, coheap: pyrosetta.rosetta.ObjexxFCL.FArray1A_float_t, index_in: int) None ¶
C++: protocols::frags::heap_up(class ObjexxFCL::FArray1A<int>, class ObjexxFCL::FArray1A<float>, int &) –> void
- 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 unsigned long, const unsigned long, class core::pose::Pose &, const class protocols::frags::TorsionFragmentLibrary &, const unsigned long) –> void
- 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
- 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 std::string &, 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>
- 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 std::string &, const double, const double, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> class std::shared_ptr<class protocols::frags::FragLib>
- 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
- 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