make_rot_lib¶

Bindings for protocols::make_rot_lib namespace

class pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibJobInputter¶

Bases: pyrosetta.rosetta.protocols.jd2.JobInputter

JobInputter that creats jobs based on MakeRotLib option files.

assign(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibJobInputter, : pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibJobInputter) → pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibJobInputter¶: C++: protocols::make_rot_lib::MakeRotLibJobInputter::operator=(const class protocols::make_rot_lib::MakeRotLibJobInputter &) –> class protocols::make_rot_lib::MakeRotLibJobInputter &

fill_jobs(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibJobInputter, jobs: pyrosetta.rosetta.protocols.jd2.JobsContainer) → None¶

Determines what jobs exist from the make_rot_lib options file

C++: protocols::make_rot_lib::MakeRotLibJobInputter::fill_jobs(class protocols::jd2::JobsContainer &) –> void

get_self_ptr(self: pyrosetta.rosetta.protocols.jd2.JobInputter) → pyrosetta.rosetta.protocols.jd2.JobInputter¶

Get self owning pointers.

C++: protocols::jd2::JobInputter::get_self_ptr() –> class std::shared_ptr<class protocols::jd2::JobInputter>

get_self_weak_ptr(self: pyrosetta.rosetta.protocols.jd2.JobInputter) → pyrosetta.rosetta.std.weak_ptr_protocols_jd2_JobInputter_t¶

Get self weak pointers.

C++: protocols::jd2::JobInputter::get_self_weak_ptr() –> class std::weak_ptr<class protocols::jd2::JobInputter>

input_source(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibJobInputter) → pyrosetta.rosetta.protocols.jd2.JobInputterInputSource.Enum¶

Return the type of input source that the MakeRotLibJobInputter is currently using.

C++: protocols::make_rot_lib::MakeRotLibJobInputter::input_source() const –> enum protocols::jd2::JobInputterInputSource::Enum

job_inputter_input_source_to_string(source: pyrosetta.rosetta.protocols.jd2.JobInputterInputSource.Enum) → str¶

call this with input_source() to get the input source of a: particular job inputter

C++: protocols::jd2::JobInputter::job_inputter_input_source_to_string(enum protocols::jd2::JobInputterInputSource::Enum) –> std::string

pose_from_job(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibJobInputter, pose: pyrosetta.rosetta.core.pose.Pose, job: pyrosetta.rosetta.protocols.jd2.Job) → None¶

this function is responsible for filling the pose reference with the pose indicated by the job

C++: protocols::make_rot_lib::MakeRotLibJobInputter::pose_from_job(class core::pose::Pose &, class std::shared_ptr<class protocols::jd2::Job>) –> void

update_jobs_list(self: pyrosetta.rosetta.protocols.jd2.JobInputter, jobs: protocols::jd2::JobsContainer) → None¶

This function is only called by certain JobInputters to update the jobs list after it has already been created.

An example case would be the LargeNstructJobInputter, which uses this function to load additional jobs after the first N have started to come back.

C++: protocols::jd2::JobInputter::update_jobs_list(class std::shared_ptr<class protocols::jd2::JobsContainer>) –> void

updates_jobs_list(self: pyrosetta.rosetta.protocols.jd2.JobInputter) → bool¶

Does this type of JobInputter update the jobs list?

False by default. Override this function in derived classes to make it true.

C++: protocols::jd2::JobInputter::updates_jobs_list() const –> bool

class pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibOptionsData¶

Bases: pybind11_builtins.pybind11_object

Stores all options contained in a MakeRotLib option file

assign(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibOptionsData, : pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibOptionsData) → pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibOptionsData¶: C++: protocols::make_rot_lib::MakeRotLibOptionsData::operator=(const class protocols::make_rot_lib::MakeRotLibOptionsData &) –> class protocols::make_rot_lib::MakeRotLibOptionsData &

get_bb_ids(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibOptionsData) → pyrosetta.rosetta.utility.vector1_unsigned_long¶: C++: protocols::make_rot_lib::MakeRotLibOptionsData::get_bb_ids() const –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >

get_bb_range(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibOptionsData, bb: int) → pyrosetta.rosetta.protocols.make_rot_lib.TorsionRange¶: C++: protocols::make_rot_lib::MakeRotLibOptionsData::get_bb_range(unsigned long) const –> struct protocols::make_rot_lib::TorsionRange

get_centroid_data(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibOptionsData) → pyrosetta.rosetta.utility.vector1_utility_vector1_protocols_make_rot_lib_CentroidRotNum_std_allocator_protocols_make_rot_lib_CentroidRotNum_t¶: C++: protocols::make_rot_lib::MakeRotLibOptionsData::get_centroid_data() const –> class utility::vector1<class utility::vector1<struct protocols::make_rot_lib::CentroidRotNum, class std::allocator<struct protocols::make_rot_lib::CentroidRotNum> >, class std::allocator<class utility::vector1<struct protocols::make_rot_lib::CentroidRotNum, class std::allocator<struct protocols::make_rot_lib::CentroidRotNum> > > >

get_chi_data(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibOptionsData) → pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_TorsionRange¶: C++: protocols::make_rot_lib::MakeRotLibOptionsData::get_chi_data() const –> class utility::vector1<struct protocols::make_rot_lib::TorsionRange, class std::allocator<struct protocols::make_rot_lib::TorsionRange> >

get_eps_range(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibOptionsData) → pyrosetta.rosetta.protocols.make_rot_lib.TorsionRange¶: C++: protocols::make_rot_lib::MakeRotLibOptionsData::get_eps_range() const –> struct protocols::make_rot_lib::TorsionRange

get_n_bb(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibOptionsData) → int¶: C++: protocols::make_rot_lib::MakeRotLibOptionsData::get_n_bb() const –> unsigned long

get_n_centroids(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibOptionsData) → int¶: C++: protocols::make_rot_lib::MakeRotLibOptionsData::get_n_centroids() const –> unsigned long

get_n_chi(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibOptionsData) → int¶: C++: protocols::make_rot_lib::MakeRotLibOptionsData::get_n_chi() const –> unsigned long

get_name(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibOptionsData) → str¶

acessors

C++: protocols::make_rot_lib::MakeRotLibOptionsData::get_name() const –> std::string

get_omg_range(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibOptionsData) → pyrosetta.rosetta.protocols.make_rot_lib.TorsionRange¶: C++: protocols::make_rot_lib::MakeRotLibOptionsData::get_omg_range() const –> struct protocols::make_rot_lib::TorsionRange

get_polymer_type(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibOptionsData) → pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibPolymerType¶: C++: protocols::make_rot_lib::MakeRotLibOptionsData::get_polymer_type() const –> enum protocols::make_rot_lib::MakeRotLibPolymerType

get_semirotameric(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibOptionsData) → bool¶: C++: protocols::make_rot_lib::MakeRotLibOptionsData::get_semirotameric() const –> bool

get_temperature(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibOptionsData) → float¶: C++: protocols::make_rot_lib::MakeRotLibOptionsData::get_temperature() const –> double

class pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibPolymerType¶

Bases: pybind11_builtins.pybind11_object

Members:

PEPTIDE

PEPTOID

pyrosetta.rosetta.protocols.make_rot_lib.asp_corrections(: pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData) → None¶: C++: protocols::make_rot_lib::asp_corrections(class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &) –> void

pyrosetta.rosetta.protocols.make_rot_lib.avg_cluster_cen_dist(: pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData, : int) → float¶: C++: protocols::make_rot_lib::avg_cluster_cen_dist(class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &, unsigned long &) –> double

pyrosetta.rosetta.protocols.make_rot_lib.calc_all_dist(: pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData, : pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData) → None¶: C++: protocols::make_rot_lib::calc_all_dist(class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &, class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &) –> void

pyrosetta.rosetta.protocols.make_rot_lib.calc_centroids(: pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData, : pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData) → bool¶: C++: protocols::make_rot_lib::calc_centroids(class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &, class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &) –> bool

pyrosetta.rosetta.protocols.make_rot_lib.calc_dist(: protocols::make_rot_lib::RotData, : protocols::make_rot_lib::RotData) → float¶: C++: protocols::make_rot_lib::calc_dist(class protocols::make_rot_lib::RotData &, class protocols::make_rot_lib::RotData &) –> double

pyrosetta.rosetta.protocols.make_rot_lib.calc_rotamer_clusters(: pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData) → bool¶: C++: protocols::make_rot_lib::calc_rotamer_clusters(class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &) –> bool

pyrosetta.rosetta.protocols.make_rot_lib.calc_std_dev(: pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData, : pyrosetta.rosetta.core.scoring.ScoreFunction, : str) → None¶: C++: protocols::make_rot_lib::calc_std_dev(class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &, class std::shared_ptr<class core::scoring::ScoreFunction>, class std::basic_string<char>) –> void

pyrosetta.rosetta.protocols.make_rot_lib.dunbrack_print(: pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData, : pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData, : str) → None¶: C++: protocols::make_rot_lib::dunbrack_print(class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &, class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &, class std::basic_string<char>) –> void

pyrosetta.rosetta.protocols.make_rot_lib.get_final_rot_probs(: pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData) → None¶: C++: protocols::make_rot_lib::get_final_rot_probs(class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &) –> void

pyrosetta.rosetta.protocols.make_rot_lib.get_final_rots(: pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData, : pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData, : int) → None¶: C++: protocols::make_rot_lib::get_final_rots(class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &, class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &, unsigned long &) –> void

pyrosetta.rosetta.protocols.make_rot_lib.glu_corrections(: pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData) → None¶: C++: protocols::make_rot_lib::glu_corrections(class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &) –> void

pyrosetta.rosetta.protocols.make_rot_lib.init_rotamers_centroids(: pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData, : pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData, : int, : str, : str, : bool, : float, : float) → None¶: C++: protocols::make_rot_lib::init_rotamers_centroids(class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &, class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &, unsigned long &, class std::basic_string<char>, class std::basic_string<char> &, bool, double, double) –> void

pyrosetta.rosetta.protocols.make_rot_lib.min_rotamers(: pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData, : pyrosetta.rosetta.core.scoring.ScoreFunction, : str) → None¶: C++: protocols::make_rot_lib::min_rotamers(class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &, class std::shared_ptr<class core::scoring::ScoreFunction>, class std::basic_string<char>) –> void

pyrosetta.rosetta.protocols.make_rot_lib.phe_tyr_corrections(: pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData) → None¶: C++: protocols::make_rot_lib::phe_tyr_corrections(class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &) –> void

pyrosetta.rosetta.protocols.make_rot_lib.pretty_print_rd(: protocols::make_rot_lib::RotData) → None¶: C++: protocols::make_rot_lib::pretty_print_rd(class protocols::make_rot_lib::RotData &) –> void