make_rot_lib¶
Bindings for protocols::make_rot_lib namespace
- class pyrosetta.rosetta.protocols.make_rot_lib.CentroidRotNum¶
Bases:
pybind11_object
- property angle¶
- property rot_num¶
- class pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibJob¶
Bases:
Job
- add_string(self: pyrosetta.rosetta.protocols.jd2.Job, string_in: str) None ¶
add an output string
C++: protocols::jd2::Job::add_string(const std::string &) –> void
- add_string_real_pair(self: pyrosetta.rosetta.protocols.jd2.Job, string_in: str, real_in: float) None ¶
add a string/real pair
C++: protocols::jd2::Job::add_string_real_pair(const std::string &, const double) –> void
- add_string_string_pair(self: pyrosetta.rosetta.protocols.jd2.Job, string1: str, string2: str) None ¶
add a string/string pair
C++: protocols::jd2::Job::add_string_string_pair(const std::string &, const std::string &) –> void
- add_strings(self: pyrosetta.rosetta.protocols.jd2.Job, : pyrosetta.rosetta.std.list_std_string_t) None ¶
add output strings
C++: protocols::jd2::Job::add_strings(const class std::list<std::string, class std::allocator<std::string > > &) –> void
- bad(self: pyrosetta.rosetta.protocols.jd2.Job) bool ¶
C++: protocols::jd2::Job::bad() const –> bool
- call_output_observers(self: pyrosetta.rosetta.protocols.jd2.Job, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::jd2::Job::call_output_observers(const class core::pose::Pose &) –> void
- can_be_deleted(self: pyrosetta.rosetta.protocols.jd2.Job) bool ¶
Returns true iff this job can be deleted to free up memory.
Should only be true if the job has completed, is bad, or has failed.
C++: protocols::jd2::Job::can_be_deleted() const –> bool
- clear_output(self: pyrosetta.rosetta.protocols.jd2.Job) None ¶
Delete the output strings, string/string pairs, and string/real pairs.
C++: protocols::jd2::Job::clear_output() –> void
- clone(self: pyrosetta.rosetta.protocols.jd2.Job) pyrosetta.rosetta.protocols.jd2.Job ¶
Return an owning pointer to a copy of this object.
C++: protocols::jd2::Job::clone() const –> class std::shared_ptr<class protocols::jd2::Job>
- completed(self: pyrosetta.rosetta.protocols.jd2.Job) bool ¶
C++: protocols::jd2::Job::completed() const –> bool
- copy_without_output(self: pyrosetta.rosetta.protocols.jd2.Job) pyrosetta.rosetta.protocols.jd2.Job ¶
- returns a copy of this object whose “output fields” are zeroed
out. Used by the JobDistributor in cases where the job fails and must be retried to prevent accumulation of Job state after a failure. This implementation was chosen over a clear_all_output function to prevent mover A from deleting mover B’s hard work! You probably should not be trying to call this function. The exception: If you want an intermediate-output pose (not the final pose) to not have the aggregated accessory data in the “real” Job object.
C++: protocols::jd2::Job::copy_without_output() const –> class std::shared_ptr<class protocols::jd2::Job>
- elapsed_time(self: pyrosetta.rosetta.protocols.jd2.Job) int ¶
C++: protocols::jd2::Job::elapsed_time() const –> unsigned long
- end_time(self: pyrosetta.rosetta.protocols.jd2.Job) int ¶
C++: protocols::jd2::Job::end_time() const –> unsigned long
- end_timing(self: pyrosetta.rosetta.protocols.jd2.Job) None ¶
C++: protocols::jd2::Job::end_timing() –> void
- get_bb(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibJob, i: int) float ¶
C++: protocols::make_rot_lib::MakeRotLibJob::get_bb(unsigned long) const –> double
- get_bb_ids(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibJob) pyrosetta.rosetta.utility.vector1_unsigned_long ¶
C++: protocols::make_rot_lib::MakeRotLibJob::get_bb_ids() const –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >
- get_bbs(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibJob) pyrosetta.rosetta.utility.vector1_double ¶
C++: protocols::make_rot_lib::MakeRotLibJob::get_bbs() const –> class utility::vector1<double, class std::allocator<double> >
- get_eps(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibJob) float ¶
C++: protocols::make_rot_lib::MakeRotLibJob::get_eps() const –> double
- get_omg(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibJob) float ¶
acessors
C++: protocols::make_rot_lib::MakeRotLibJob::get_omg() const –> double
- get_options_data(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibJob) protocols::make_rot_lib::MakeRotLibOptionsData ¶
C++: protocols::make_rot_lib::MakeRotLibJob::get_options_data() const –> class std::shared_ptr<class protocols::make_rot_lib::MakeRotLibOptionsData>
- get_pose(*args, **kwargs)¶
Overloaded function.
get_pose(self: pyrosetta.rosetta.protocols.jd2.Job) -> pyrosetta.rosetta.core.pose.Pose
return a COP to the input pose
C++: protocols::jd2::Job::get_pose() const –> class std::shared_ptr<const class core::pose::Pose>
get_pose(self: pyrosetta.rosetta.protocols.jd2.Job, : pyrosetta.rosetta.core.pose.Pose) -> None
in-place copy of input pose
C++: protocols::jd2::Job::get_pose(class core::pose::Pose &) const –> void
- get_semirotameric(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibJob) bool ¶
C++: protocols::make_rot_lib::MakeRotLibJob::get_semirotameric() const –> bool
- get_string_real_pairs(self: pyrosetta.rosetta.protocols.jd2.Job) pyrosetta.rosetta.std.map_std_string_double ¶
C++: protocols::jd2::Job::get_string_real_pairs() –> class std::map<std::string, double, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, double> > > &
- get_string_string_pairs(self: pyrosetta.rosetta.protocols.jd2.Job) pyrosetta.rosetta.std.map_std_string_std_string ¶
C++: protocols::jd2::Job::get_string_string_pairs() –> class std::map<std::string, std::string, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, std::string > > > &
- get_strings(self: pyrosetta.rosetta.protocols.jd2.Job) pyrosetta.rosetta.std.list_std_string_t ¶
C++: protocols::jd2::Job::get_strings() –> class std::list<std::string, class std::allocator<std::string > > &
- inner_job(self: pyrosetta.rosetta.protocols.jd2.Job) pyrosetta.rosetta.protocols.jd2.InnerJob ¶
- access to inner-job … use is discouraged - use sparingly!
— DO NOT use my_job->inner_job()->get_pose() INSTEAD use my_job->get_pose()
C++: protocols::jd2::Job::inner_job() const –> class std::shared_ptr<const class protocols::jd2::InnerJob>
- inner_job_nonconst(self: pyrosetta.rosetta.protocols.jd2.Job) pyrosetta.rosetta.protocols.jd2.InnerJob ¶
nonconst access is intended only for the JobInputter to load poses into the InnerJob, and the Parser to add constraints, and the JobDistributor to delete completed inputs (recycle memory)
C++: protocols::jd2::Job::inner_job_nonconst() –> class std::shared_ptr<class protocols::jd2::InnerJob>
- input_tag(self: pyrosetta.rosetta.protocols.jd2.Job) str ¶
return the input tag (a short string, generally)
C++: protocols::jd2::Job::input_tag() const –> const std::string &
- nstruct_index(self: pyrosetta.rosetta.protocols.jd2.Job) int ¶
C++: protocols::jd2::Job::nstruct_index() const –> unsigned long
- nstruct_max(self: pyrosetta.rosetta.protocols.jd2.Job) int ¶
C++: protocols::jd2::Job::nstruct_max() const –> unsigned long
- set_bad(*args, **kwargs)¶
Overloaded function.
set_bad(self: pyrosetta.rosetta.protocols.jd2.Job) -> None
set_bad(self: pyrosetta.rosetta.protocols.jd2.Job, value: bool) -> None
C++: protocols::jd2::Job::set_bad(bool) –> void
- set_can_be_deleted(*args, **kwargs)¶
Overloaded function.
set_can_be_deleted(self: pyrosetta.rosetta.protocols.jd2.Job) -> None
set_can_be_deleted(self: pyrosetta.rosetta.protocols.jd2.Job, value: bool) -> None
Set whether this job can be deleted to free up memory.
C++: protocols::jd2::Job::set_can_be_deleted(bool) –> void
- set_completed(*args, **kwargs)¶
Overloaded function.
set_completed(self: pyrosetta.rosetta.protocols.jd2.Job) -> None
set_completed(self: pyrosetta.rosetta.protocols.jd2.Job, value: bool) -> None
C++: protocols::jd2::Job::set_completed(bool) –> void
- set_status_prefix(self: pyrosetta.rosetta.protocols.jd2.Job, prefix: str) None ¶
C++: protocols::jd2::Job::set_status_prefix(std::string) –> void
- show(self: pyrosetta.rosetta.protocols.jd2.Job, out: pyrosetta.rosetta.std.ostream) None ¶
C++: protocols::jd2::Job::show(std::ostream &) const –> void
- start_time(self: pyrosetta.rosetta.protocols.jd2.Job) int ¶
C++: protocols::jd2::Job::start_time() const –> unsigned long
- start_timing(self: pyrosetta.rosetta.protocols.jd2.Job) None ¶
C++: protocols::jd2::Job::start_timing() –> void
- status_prefix(self: pyrosetta.rosetta.protocols.jd2.Job) str ¶
C++: protocols::jd2::Job::status_prefix() const –> const std::string &
- timestamp(self: pyrosetta.rosetta.protocols.jd2.Job) str ¶
C++: protocols::jd2::Job::timestamp() const –> std::string
- to_do(self: pyrosetta.rosetta.protocols.jd2.Job) bool ¶
C++: protocols::jd2::Job::to_do() const –> bool
- class pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibJobInputter¶
Bases:
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
- static 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.MakeRotLibJobInputterCreator¶
Bases:
JobInputterCreator
- assign(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibJobInputterCreator, : pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibJobInputterCreator) pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibJobInputterCreator ¶
C++: protocols::make_rot_lib::MakeRotLibJobInputterCreator::operator=(const class protocols::make_rot_lib::MakeRotLibJobInputterCreator &) –> class protocols::make_rot_lib::MakeRotLibJobInputterCreator &
- create_JobInputter(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibJobInputterCreator) pyrosetta.rosetta.protocols.jd2.JobInputter ¶
C++: protocols::make_rot_lib::MakeRotLibJobInputterCreator::create_JobInputter() const –> class std::shared_ptr<class protocols::jd2::JobInputter>
- keyname(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibJobInputterCreator) str ¶
C++: protocols::make_rot_lib::MakeRotLibJobInputterCreator::keyname() const –> std::string
- class pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover¶
Bases:
Mover
- angle_diff(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover, a1: float, a2: float) float ¶
C++: protocols::make_rot_lib::MakeRotLibMover::angle_diff(double, double) –> double
- apply(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::make_rot_lib::MakeRotLibMover::apply(class core::pose::Pose &) –> void
- assign(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover, : pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover) pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover ¶
C++: protocols::make_rot_lib::MakeRotLibMover::operator=(const class protocols::make_rot_lib::MakeRotLibMover &) –> class protocols::make_rot_lib::MakeRotLibMover &
- bbs_appropriate_for_definitions(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover, bbs: pyrosetta.rosetta.utility.vector1_double) bool ¶
C++: protocols::make_rot_lib::MakeRotLibMover::bbs_appropriate_for_definitions(class utility::vector1<double, class std::allocator<double> >) –> bool
- calc_all_dist(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover) None ¶
C++: protocols::make_rot_lib::MakeRotLibMover::calc_all_dist() –> void
- calc_centroids(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover) bool ¶
C++: protocols::make_rot_lib::MakeRotLibMover::calc_centroids() –> bool
- calc_dist(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover, rd1: protocols::make_rot_lib::RotData, rd2: protocols::make_rot_lib::RotData) float ¶
C++: protocols::make_rot_lib::MakeRotLibMover::calc_dist(class protocols::make_rot_lib::RotData &, class protocols::make_rot_lib::RotData &) –> double
- calc_final_rotamer_probs(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover) None ¶
C++: protocols::make_rot_lib::MakeRotLibMover::calc_final_rotamer_probs() –> void
- calc_final_rotamers(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover) None ¶
C++: protocols::make_rot_lib::MakeRotLibMover::calc_final_rotamers() –> void
- calc_medoids(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover) bool ¶
C++: protocols::make_rot_lib::MakeRotLibMover::calc_medoids() –> bool
- calc_rotamer_clusters(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover) bool ¶
C++: protocols::make_rot_lib::MakeRotLibMover::calc_rotamer_clusters() –> bool
- calc_running_avg(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover, angle_new: float, angle_old: float, count: int) None ¶
C++: protocols::make_rot_lib::MakeRotLibMover::calc_running_avg(double, double &, unsigned long &) –> void
- calc_standard_deviations(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover, pose: pyrosetta.rosetta.core.pose.Pose, bbs: pyrosetta.rosetta.utility.vector1_double, bb_ids: pyrosetta.rosetta.utility.vector1_unsigned_long, polymer_type: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibPolymerType) None ¶
C++: protocols::make_rot_lib::MakeRotLibMover::calc_standard_deviations(class core::pose::Pose &, class utility::vector1<double, class std::allocator<double> >, class utility::vector1<unsigned long, class std::allocator<unsigned long> >, enum protocols::make_rot_lib::MakeRotLibPolymerType) –> 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>
- 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.make_rot_lib.MakeRotLibMover) str ¶
C++: protocols::make_rot_lib::MakeRotLibMover::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 > > &
- init_centroids(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover, centroid_data: pyrosetta.rosetta.utility.vector1_utility_vector1_protocols_make_rot_lib_CentroidRotNum_std_allocator_protocols_make_rot_lib_CentroidRotNum_t, num_chi: int, semirotameric: bool) None ¶
C++: protocols::make_rot_lib::MakeRotLibMover::init_centroids(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> > > > &, unsigned long, bool) –> void
- init_rotamers(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover, chi_ranges: pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_TorsionRange, num_clusters: int, omg: float, bbs: pyrosetta.rosetta.utility.vector1_double, bbids: pyrosetta.rosetta.utility.vector1_unsigned_long, eps: float, semirotameric: bool) None ¶
C++: protocols::make_rot_lib::MakeRotLibMover::init_rotamers(const class utility::vector1<struct protocols::make_rot_lib::TorsionRange, class std::allocator<struct protocols::make_rot_lib::TorsionRange> > &, unsigned long, double, class utility::vector1<double, class std::allocator<double> >, class utility::vector1<unsigned long, class std::allocator<unsigned long> >, double, bool) –> void
- last_proposal_density_ratio(self: pyrosetta.rosetta.protocols.moves.Mover) float ¶
C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
- make_three_fold_symmetry_90_210_330(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover, rdv: pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData, chi_num: int) None ¶
C++: protocols::make_rot_lib::MakeRotLibMover::make_three_fold_symmetry_90_210_330(class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &, unsigned long) –> void
- make_two_fold_symmetry_0_180(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover, rdv: pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData, chi_num: int) None ¶
C++: protocols::make_rot_lib::MakeRotLibMover::make_two_fold_symmetry_0_180(class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &, unsigned long) –> void
- make_two_fold_symmetry_135_315(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover, rdv: pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData, chi_num: int) None ¶
C++: protocols::make_rot_lib::MakeRotLibMover::make_two_fold_symmetry_135_315(class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &, unsigned long) –> void
- minimize_all_rotamers(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover, pose: pyrosetta.rosetta.core.pose.Pose, bbs: pyrosetta.rosetta.utility.vector1_double, bb_ids: pyrosetta.rosetta.utility.vector1_unsigned_long, polymer_type: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibPolymerType) None ¶
C++: protocols::make_rot_lib::MakeRotLibMover::minimize_all_rotamers(class core::pose::Pose &, class utility::vector1<double, class std::allocator<double> >, class utility::vector1<unsigned long, class std::allocator<unsigned long> >, enum protocols::make_rot_lib::MakeRotLibPolymerType) –> void
- minimize_rotamer(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover, rd: protocols::make_rot_lib::RotData, pose: pyrosetta.rosetta.core.pose.Pose, bbs: pyrosetta.rosetta.utility.vector1_double, bb_ids: pyrosetta.rosetta.utility.vector1_unsigned_long, polymer_type: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibPolymerType) None ¶
C++: protocols::make_rot_lib::MakeRotLibMover::minimize_rotamer(class protocols::make_rot_lib::RotData &, class core::pose::Pose &, class utility::vector1<double, class std::allocator<double> >, class utility::vector1<unsigned long, class std::allocator<unsigned long> >, enum protocols::make_rot_lib::MakeRotLibPolymerType) –> 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
- print_avg_cluster_centroid_dist(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover, os: pyrosetta.rosetta.std.ostream) float ¶
C++: protocols::make_rot_lib::MakeRotLibMover::print_avg_cluster_centroid_dist(std::ostream &) –> double
- print_definitions(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover, os: pyrosetta.rosetta.std.ostream) None ¶
C++: protocols::make_rot_lib::MakeRotLibMover::print_definitions(std::ostream &) –> void
- print_dunbrack02_rotlib(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover, omg: float, bbs: pyrosetta.rosetta.utility.vector1_double, bbids: pyrosetta.rosetta.utility.vector1_unsigned_long, eps: float, polymer_type: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibPolymerType, os: pyrosetta.rosetta.std.ostream) None ¶
C++: protocols::make_rot_lib::MakeRotLibMover::print_dunbrack02_rotlib(double, class utility::vector1<double, class std::allocator<double> >, class utility::vector1<unsigned long, class std::allocator<unsigned long> >, double, enum protocols::make_rot_lib::MakeRotLibPolymerType, std::ostream &) –> void
- print_dunbrack10_rotlib(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover, omg: float, bbs: pyrosetta.rosetta.utility.vector1_double, bbids: pyrosetta.rosetta.utility.vector1_unsigned_long, eps: float, polymer_type: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibPolymerType, os: pyrosetta.rosetta.std.ostream) None ¶
C++: protocols::make_rot_lib::MakeRotLibMover::print_dunbrack10_rotlib(double, class utility::vector1<double, class std::allocator<double> >, class utility::vector1<unsigned long, class std::allocator<unsigned long> >, double, enum protocols::make_rot_lib::MakeRotLibPolymerType, std::ostream &) –> void
- print_rot_data(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover, rd: protocols::make_rot_lib::RotData, bb_ids: pyrosetta.rosetta.utility.vector1_unsigned_long, os: pyrosetta.rosetta.std.ostream) None ¶
C++: protocols::make_rot_lib::MakeRotLibMover::print_rot_data(class protocols::make_rot_lib::RotData &, class utility::vector1<unsigned long, class std::allocator<unsigned long> >, std::ostream &) –> void
- print_rot_data_vec(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover, rdv: pyrosetta.rosetta.utility.vector1_protocols_make_rot_lib_RotData, bb_ids: pyrosetta.rosetta.utility.vector1_unsigned_long, os: pyrosetta.rosetta.std.ostream) None ¶
C++: protocols::make_rot_lib::MakeRotLibMover::print_rot_data_vec(class utility::vector1<class protocols::make_rot_lib::RotData, class std::allocator<class protocols::make_rot_lib::RotData> > &, class utility::vector1<unsigned long, class std::allocator<unsigned long> >, std::ostream &) –> void
- 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
- seed_centroids(self: pyrosetta.rosetta.protocols.make_rot_lib.MakeRotLibMover, semirotameric: bool) None ¶
C++: protocols::make_rot_lib::MakeRotLibMover::seed_centroids(bool) –> 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.make_rot_lib.MakeRotLibOptionsData¶
Bases:
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_object
Members:
PEPTIDE
PEPTOID
- PEPTIDE = <MakeRotLibPolymerType.PEPTIDE: 0>¶
- PEPTOID = <MakeRotLibPolymerType.PEPTOID: 1>¶
- property name¶
- property value¶
- class pyrosetta.rosetta.protocols.make_rot_lib.RotData¶
Bases:
pybind11_object
- get_bb(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, i: int) float ¶
C++: protocols::make_rot_lib::RotData::get_bb(unsigned long) –> double
- get_bb_id(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, i: int) int ¶
C++: protocols::make_rot_lib::RotData::get_bb_id(unsigned long) –> unsigned long
- get_bbs(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData) pyrosetta.rosetta.utility.vector1_double ¶
C++: protocols::make_rot_lib::RotData::get_bbs() –> class utility::vector1<double, class std::allocator<double> >
- get_cen_dist(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, num: int) float ¶
C++: protocols::make_rot_lib::RotData::get_cen_dist(unsigned long) –> double
- get_cluster_num(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData) int ¶
C++: protocols::make_rot_lib::RotData::get_cluster_num() –> unsigned long
- get_energy(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData) float ¶
C++: protocols::make_rot_lib::RotData::get_energy() –> double
- get_eps(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData) float ¶
C++: protocols::make_rot_lib::RotData::get_eps() –> double
- get_inp_chi(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, num: int) float ¶
C++: protocols::make_rot_lib::RotData::get_inp_chi(unsigned long) –> double
- get_inter_atr(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData) float ¶
C++: protocols::make_rot_lib::RotData::get_inter_atr() –> double
- get_inter_rep(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData) float ¶
C++: protocols::make_rot_lib::RotData::get_inter_rep() –> double
- get_intra_atr(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData) float ¶
C++: protocols::make_rot_lib::RotData::get_intra_atr() –> double
- get_intra_rep(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData) float ¶
C++: protocols::make_rot_lib::RotData::get_intra_rep() –> double
- get_lib_chi_val(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, num: int) int ¶
C++: protocols::make_rot_lib::RotData::get_lib_chi_val(unsigned long) –> unsigned long
- get_min_cent_dist(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData) int ¶
C++: protocols::make_rot_lib::RotData::get_min_cent_dist() –> unsigned long
- get_min_chi(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, num: int) float ¶
C++: protocols::make_rot_lib::RotData::get_min_chi(unsigned long) –> double
- get_min_eps(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData) float ¶
C++: protocols::make_rot_lib::RotData::get_min_eps() –> double
- get_min_omg(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData) float ¶
C++: protocols::make_rot_lib::RotData::get_min_omg() –> double
- get_num_bbs(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData) int ¶
C++: protocols::make_rot_lib::RotData::get_num_bbs() –> unsigned long
- get_num_chi(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData) int ¶
C++: protocols::make_rot_lib::RotData::get_num_chi() –> unsigned long
- get_num_clusters(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData) int ¶
C++: protocols::make_rot_lib::RotData::get_num_clusters() –> unsigned long
- get_omg(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData) float ¶
C++: protocols::make_rot_lib::RotData::get_omg() –> double
- get_phi(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData) float ¶
C++: protocols::make_rot_lib::RotData::get_phi() –> double
- get_probability(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData) float ¶
C++: protocols::make_rot_lib::RotData::get_probability() –> double
- get_psi(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData) float ¶
C++: protocols::make_rot_lib::RotData::get_psi() –> double
- get_semi_energy_dist(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, i: int) float ¶
C++: protocols::make_rot_lib::RotData::get_semi_energy_dist(unsigned long) –> double
- get_semi_prob_dist(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, i: int) float ¶
C++: protocols::make_rot_lib::RotData::get_semi_prob_dist(unsigned long) –> double
- get_semirotameric(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData) bool ¶
C++: protocols::make_rot_lib::RotData::get_semirotameric() –> bool
- get_solvation(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData) float ¶
C++: protocols::make_rot_lib::RotData::get_solvation() –> double
- get_std_dev(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, num: int) float ¶
C++: protocols::make_rot_lib::RotData::get_std_dev(unsigned long) –> double
- get_twist(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData) float ¶
C++: protocols::make_rot_lib::RotData::get_twist() –> double
- load(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, in: pyrosetta.rosetta.std.istream) bool ¶
C++: protocols::make_rot_lib::RotData::load(std::istream &) –> bool
- resize_bb_ids(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, i: int) None ¶
C++: protocols::make_rot_lib::RotData::resize_bb_ids(unsigned long) –> void
- resize_bbs(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, i: int) None ¶
C++: protocols::make_rot_lib::RotData::resize_bbs(unsigned long) –> void
- resize_semi_vectors(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, i: int) None ¶
C++: protocols::make_rot_lib::RotData::resize_semi_vectors(unsigned long) –> void
- set_bb(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, i: int, BB: float) None ¶
C++: protocols::make_rot_lib::RotData::set_bb(unsigned long, double) –> void
- set_bb_id(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, i: int, bbid: int) None ¶
C++: protocols::make_rot_lib::RotData::set_bb_id(unsigned long, unsigned long) –> void
- set_cen_dist(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, dist: float, num: int) None ¶
C++: protocols::make_rot_lib::RotData::set_cen_dist(double, unsigned long) –> void
- set_cluster_num(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, Cluster_Num: int) None ¶
C++: protocols::make_rot_lib::RotData::set_cluster_num(unsigned long) –> void
- set_energy(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, Energy: float) None ¶
C++: protocols::make_rot_lib::RotData::set_energy(double) –> void
- set_eps(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, Epsilon: float) None ¶
C++: protocols::make_rot_lib::RotData::set_eps(double) –> void
- set_inp_chi(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, angle: float, num: int) None ¶
C++: protocols::make_rot_lib::RotData::set_inp_chi(double, unsigned long) –> void
- set_inter_atr(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, inter_atr: float) None ¶
C++: protocols::make_rot_lib::RotData::set_inter_atr(double) –> void
- set_inter_rep(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, inter_rep: float) None ¶
C++: protocols::make_rot_lib::RotData::set_inter_rep(double) –> void
- set_intra_atr(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, intra_atr: float) None ¶
C++: protocols::make_rot_lib::RotData::set_intra_atr(double) –> void
- set_intra_rep(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, intra_rep: float) None ¶
C++: protocols::make_rot_lib::RotData::set_intra_rep(double) –> void
- set_lib_chi_val(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, val: int, num: int) None ¶
C++: protocols::make_rot_lib::RotData::set_lib_chi_val(unsigned long, unsigned long) –> void
- set_min_chi(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, angle: float, num: int) None ¶
C++: protocols::make_rot_lib::RotData::set_min_chi(double, unsigned long) –> void
- set_min_eps(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, MinEpsilon: float) None ¶
C++: protocols::make_rot_lib::RotData::set_min_eps(double) –> void
- set_min_omg(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, MinOmega: float) None ¶
C++: protocols::make_rot_lib::RotData::set_min_omg(double) –> void
- set_num_bbs(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, i: int) None ¶
C++: protocols::make_rot_lib::RotData::set_num_bbs(unsigned long) –> void
- set_num_chi(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, Num_Chi: int) None ¶
C++: protocols::make_rot_lib::RotData::set_num_chi(unsigned long) –> void
- set_num_clusters(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, num: int) None ¶
C++: protocols::make_rot_lib::RotData::set_num_clusters(unsigned long) –> void
- set_omg(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, Omega: float) None ¶
C++: protocols::make_rot_lib::RotData::set_omg(double) –> void
- set_phi(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, Phi: float) None ¶
C++: protocols::make_rot_lib::RotData::set_phi(double) –> void
- set_probability(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, Probability: float) None ¶
C++: protocols::make_rot_lib::RotData::set_probability(double) –> void
- set_psi(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, Psi: float) None ¶
C++: protocols::make_rot_lib::RotData::set_psi(double) –> void
- set_semi_energy_dist(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, i: int, setting: float) None ¶
C++: protocols::make_rot_lib::RotData::set_semi_energy_dist(unsigned long, double) –> void
- set_semi_prob_dist(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, i: int, setting: float) None ¶
C++: protocols::make_rot_lib::RotData::set_semi_prob_dist(unsigned long, double) –> void
- set_solvation(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, solvation: float) None ¶
C++: protocols::make_rot_lib::RotData::set_solvation(double) –> void
- set_std_dev(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, STD: float, num: int) None ¶
C++: protocols::make_rot_lib::RotData::set_std_dev(double, unsigned long) –> void
- set_twist(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, twist: float) None ¶
C++: protocols::make_rot_lib::RotData::set_twist(double) –> void
- show(self: pyrosetta.rosetta.protocols.make_rot_lib.RotData, out: pyrosetta.rosetta.std.ostream) None ¶
C++: protocols::make_rot_lib::RotData::show(std::ostream &) const –> void
- class pyrosetta.rosetta.protocols.make_rot_lib.TorsionRange¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.make_rot_lib.TorsionRange, : pyrosetta.rosetta.protocols.make_rot_lib.TorsionRange) pyrosetta.rosetta.protocols.make_rot_lib.TorsionRange ¶
C++: protocols::make_rot_lib::TorsionRange::operator=(const struct protocols::make_rot_lib::TorsionRange &) –> struct protocols::make_rot_lib::TorsionRange &
- property high¶
- property low¶
- property step¶