rotamer_set

Bindings for protocols::flexpack::rotamer_set namespace

class pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSet

Bases: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_

add_rotamer(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, rotamer: pyrosetta.rosetta.core.conformation.Residue) None

C++: core::pack::rotamer_set::RotamerSet_::add_rotamer(const class core::conformation::Residue &) –> void

add_rotamer_into_existing_group(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, rotamer: pyrosetta.rosetta.core.conformation.Residue) None

C++: core::pack::rotamer_set::RotamerSet_::add_rotamer_into_existing_group(const class core::conformation::Residue &) –> void

assign(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet, : pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet) pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet

C++: core::pack::rotamer_set::RotamerSet::operator=(const class core::pack::rotamer_set::RotamerSet &) –> class core::pack::rotamer_set::RotamerSet &

build_dependent_rotamers(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSet, rotamer_sets: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSets, pose: pyrosetta.rosetta.core.pose.Pose, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction, task: pyrosetta.rosetta.core.pack.task.PackerTask, packer_neighbor_graph: pyrosetta.rosetta.utility.graph.Graph) None
Build rotamers that depend on positions of rotamers built in a previous pass

This function won’t work…

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSet::build_dependent_rotamers(const class core::pack::rotamer_set::RotamerSets &, const class core::pose::Pose &, const class core::scoring::ScoreFunction &, const class core::pack::task::PackerTask &, class std::shared_ptr<const class utility::graph::Graph>) –> void

build_rotamers(*args, **kwargs)

Overloaded function.

  1. build_rotamers(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, the_pose: pyrosetta.rosetta.core.pose.Pose, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction, task: pyrosetta.rosetta.core.pack.task.PackerTask, packer_neighbor_graph: pyrosetta.rosetta.utility.graph.Graph) -> None

  2. build_rotamers(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, the_pose: pyrosetta.rosetta.core.pose.Pose, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction, task: pyrosetta.rosetta.core.pack.task.PackerTask, packer_neighbor_graph: pyrosetta.rosetta.utility.graph.Graph, use_neighbor_context: bool) -> None

C++: core::pack::rotamer_set::RotamerSet_::build_rotamers(const class core::pose::Pose &, const class core::scoring::ScoreFunction &, const class core::pack::task::PackerTask &, class std::shared_ptr<const class utility::graph::Graph>, bool) –> void

bump_check(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, rotamer: pyrosetta.rosetta.core.conformation.Residue, sf: pyrosetta.rosetta.core.scoring.ScoreFunction, pose: pyrosetta.rosetta.core.pose.Pose, task: pyrosetta.rosetta.core.pack.task.PackerTask, packer_neighbor_graph: pyrosetta.rosetta.utility.graph.Graph) float
Computes the “bump energy” of a rotamer: the bump energy is the

sum of rotamer’s interactions with 1) the backbone-and-side chains of neighboring residues that are held fixed during this repacking optimization and 2) the backbones of neighboring residues that are changable during this repacking optimization.

C++: core::pack::rotamer_set::RotamerSet_::bump_check(class std::shared_ptr<const class core::conformation::Residue>, const class core::scoring::ScoreFunction &, const class core::pose::Pose &, const class core::pack::task::PackerTask &, class std::shared_ptr<const class utility::graph::Graph>) const –> float

compute_one_and_two_body_energies(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, pose: pyrosetta.rosetta.core.pose.Pose, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction, task: pyrosetta.rosetta.core.pack.task.PackerTask, packer_neighbor_graph: pyrosetta.rosetta.utility.graph.Graph, one_body_energies: pyrosetta.rosetta.utility.vector1_float, two_body_energies: pyrosetta.rosetta.utility.vector1_utility_vector1_float_std_allocator_float_t, packable_neighbors: pyrosetta.rosetta.utility.vector1_unsigned_long) None
Computes the packers one body energies for the set of rotamers as well

as two body energies for neighboring positions defined as packable by the task.

C++: core::pack::rotamer_set::RotamerSet_::compute_one_and_two_body_energies(const class core::pose::Pose &, const class core::scoring::ScoreFunction &, const class core::pack::task::PackerTask &, class std::shared_ptr<const class utility::graph::Graph>, class utility::vector1<float, class std::allocator<float> > &, class utility::vector1<class utility::vector1<float, class std::allocator<float> >, class std::allocator<class utility::vector1<float, class std::allocator<float> > > > &, class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) const –> void

compute_one_body_energies(*args, **kwargs)

Overloaded function.

  1. compute_one_body_energies(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, pose: pyrosetta.rosetta.core.pose.Pose, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction, task: pyrosetta.rosetta.core.pack.task.PackerTask, packer_neighbor_graph: pyrosetta.rosetta.utility.graph.Graph, energies: pyrosetta.rosetta.utility.vector1_float) -> None

  2. compute_one_body_energies(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, pose: pyrosetta.rosetta.core.pose.Pose, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction, task: pyrosetta.rosetta.core.pack.task.PackerTask, packer_neighbor_graph: pyrosetta.rosetta.utility.graph.Graph, energies: pyrosetta.rosetta.utility.vector1_float, no_update: bool) -> None

Computes the packers “one body energies” for the set of rotamers.

If no_update is true, we skip the lazy update of rotamers (which is potentially not threadsafe).

C++: core::pack::rotamer_set::RotamerSet_::compute_one_body_energies(const class core::pose::Pose &, const class core::scoring::ScoreFunction &, const class core::pack::task::PackerTask &, class std::shared_ptr<const class utility::graph::Graph>, class utility::vector1<float, class std::allocator<float> > &, const bool) const –> void

compute_one_body_energy_maps(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, pose: pyrosetta.rosetta.core.pose.Pose, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction, task: pyrosetta.rosetta.core.pack.task.PackerTask, packer_neighbor_graph: pyrosetta.rosetta.utility.graph.Graph, energies: pyrosetta.rosetta.utility.vector1_core_scoring_EMapVector) None

for OPTE

C++: core::pack::rotamer_set::RotamerSet_::compute_one_body_energy_maps(const class core::pose::Pose &, const class core::scoring::ScoreFunction &, const class core::pack::task::PackerTask &, class std::shared_ptr<const class utility::graph::Graph>, class utility::vector1<class core::scoring::EMapVector, class std::allocator<class core::scoring::EMapVector> > &) const –> void

data(self: pyrosetta.rosetta.core.conformation.RotamerSetBase) pyrosetta.rosetta.basic.datacache.BasicDataCache

BasicDataCache indexed by enum in core/pack/rotamer_set/RotamerSetCacheableDataType.hh

C++: core::conformation::RotamerSetBase::data() –> class basic::datacache::BasicDataCache &

drop_rotamer(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, rot_id: int) None

removes a single rotamer and causes a rotamer index update

C++: core::pack::rotamer_set::RotamerSet_::drop_rotamer(unsigned long) –> void

drop_rotamers(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, rotamers_to_delete: pyrosetta.rosetta.utility.vector1_bool) None
rotamers_to_delete must be of size nrotmaers – each position

in the array that’s “true” is removed from the set of rotamers

C++: core::pack::rotamer_set::RotamerSet_::drop_rotamers(const class utility::vector1<bool, class std::allocator<bool> > &) –> void

drop_rotamers_by_index(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, rotamer_indices_to_delete: pyrosetta.rosetta.utility.vector1_unsigned_long) None
deletes the rotamers in the list with the given indices.

The indices of these rotamers is presumed to be those before any delete operation. e.g. if there are four rotamers, and rotamer_indices_to_delete includes 1 & 3, then the rotamers that will remain are the rotamers originally indexed as 2 and 4, even though their new indices will be 1 & 2.

C++: core::pack::rotamer_set::RotamerSet_::drop_rotamers_by_index(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void

get_n_residue_groups(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_) int

C++: core::pack::rotamer_set::RotamerSet_::get_n_residue_groups() const –> unsigned long

get_n_residue_types(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_) int

C++: core::pack::rotamer_set::RotamerSet_::get_n_residue_types() const –> unsigned long

get_n_rotamers_for_residue_group(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, which_resgroup: int) int

C++: core::pack::rotamer_set::RotamerSet_::get_n_rotamers_for_residue_group(unsigned long) const –> unsigned long

get_n_rotamers_for_residue_type(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, which_resgroup: int) int

C++: core::pack::rotamer_set::RotamerSet_::get_n_rotamers_for_residue_type(unsigned long) const –> unsigned long

get_residue_group_begin(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, which_resgroup: int) int

C++: core::pack::rotamer_set::RotamerSet_::get_residue_group_begin(unsigned long) const –> unsigned long

get_residue_group_index_for_rotamer(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, which_rotamer: int) int

C++: core::pack::rotamer_set::RotamerSet_::get_residue_group_index_for_rotamer(unsigned long) const –> unsigned long

get_residue_type_begin(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, which_restype: int) int

C++: core::pack::rotamer_set::RotamerSet_::get_residue_type_begin(unsigned long) const –> unsigned long

get_residue_type_index_for_rotamer(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, which_rotamer: int) int

C++: core::pack::rotamer_set::RotamerSet_::get_residue_type_index_for_rotamer(unsigned long) const –> unsigned long

get_trie(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, method_enum_id: int) pyrosetta.rosetta.core.conformation.AbstractRotamerTrie

C++: core::pack::rotamer_set::RotamerSet_::get_trie(unsigned long) const –> class std::shared_ptr<const class core::conformation::AbstractRotamerTrie>

id_for_current_rotamer(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_) int

C++: core::pack::rotamer_set::RotamerSet_::id_for_current_rotamer() const –> unsigned long

initialize_pose_for_rotset_creation(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, : pyrosetta.rosetta.core.pose.Pose) None
Give the pose a chance to stash any data needed by the _rotset_

need nonconst access to pose

C++: core::pack::rotamer_set::RotamerSet_::initialize_pose_for_rotset_creation(class core::pose::Pose &) const –> void

nonconst_rotamer(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, rot_id: int) pyrosetta.rosetta.core.conformation.Residue

C++: core::pack::rotamer_set::RotamerSet_::nonconst_rotamer(unsigned long) –> class std::shared_ptr<class core::conformation::Residue>

num_rotamers(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_) int

C++: core::pack::rotamer_set::RotamerSet_::num_rotamers() const –> unsigned long

resid(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet) int

C++: core::pack::rotamer_set::RotamerSet::resid() const –> unsigned long

rotamer(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, rot_id: int) pyrosetta.rosetta.core.conformation.Residue

C++: core::pack::rotamer_set::RotamerSet_::rotamer(unsigned long) const –> class std::shared_ptr<const class core::conformation::Residue>

rotamer_data_cache(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, rot_id: int) pyrosetta.rosetta.basic.datacache.BasicDataCache

C++: core::pack::rotamer_set::RotamerSet_::rotamer_data_cache(unsigned long) const –> class basic::datacache::BasicDataCache &

rotamer_ref(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, rot_id: int) pyrosetta.rosetta.core.conformation.Residue

C++: core::pack::rotamer_set::RotamerSet_::rotamer_ref(unsigned long) const –> const class core::conformation::Residue &

set_existing_residue(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSet, residue: pyrosetta.rosetta.core.conformation.Residue) None

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSet::set_existing_residue(class std::shared_ptr<const class core::conformation::Residue>) –> void

set_extra_samples(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, task: pyrosetta.rosetta.core.pack.task.PackerTask, num_10A_neighbors: int, chi: int, concrete_residue: pyrosetta.rosetta.core.chemical.ResidueType, extra_chi_steps: pyrosetta.rosetta.utility.vector1_double) None
Pushes standard-deviation multiples that should be sampled

for this residue – if this residue has more neighbors within 10A than the task-specified cutoff for buriedness, then extra rotamer samples are added to the extra_chi_steps vector, otherwise, the vector is not modified.

C++: core::pack::rotamer_set::RotamerSet_::set_extra_samples(const class core::pack::task::PackerTask &, int, int, class std::shared_ptr<const class core::chemical::ResidueType>, class utility::vector1<double, class std::allocator<double> > &) const –> void

set_owner(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSet, owner: pyrosetta.rosetta.std.weak_ptr_const_protocols_flexpack_rotamer_set_FlexbbRotamerSets_t) None

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSet::set_owner(class std::weak_ptr<const class protocols::flexpack::rotamer_set::FlexbbRotamerSets>) –> void

set_resid(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet, resid: int) None

C++: core::pack::rotamer_set::RotamerSet::set_resid(unsigned long) –> void

show(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, out: pyrosetta.rosetta.std.ostream) None

C++: core::pack::rotamer_set::RotamerSet_::show(std::ostream &) const –> void

store_trie(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_, method_enum_id: int, trie: pyrosetta.rosetta.core.conformation.AbstractRotamerTrie) None

C++: core::pack::rotamer_set::RotamerSet_::store_trie(unsigned long, class std::shared_ptr<class core::conformation::AbstractRotamerTrie>) –> void

update_rotamer_offsets(self: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSet_) None
Lazy update of rotamer indices and offsets and integration of those rotamers

in the rotamers_waiting_for_sort_ list.

C++: core::pack::rotamer_set::RotamerSet_::update_rotamer_offsets() const –> void

class pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets

Bases: pyrosetta.rosetta.core.pack_basic.RotamerSetsBase

assign(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, : pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets) pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::operator=(const class protocols::flexpack::rotamer_set::FlexbbRotamerSets &) –> class protocols::flexpack::rotamer_set::FlexbbRotamerSets &

backbone_for_moltenres_bbconf(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, moltenres: int, bbconf: int) pyrosetta.rosetta.core.conformation.Residue

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::backbone_for_moltenres_bbconf(unsigned long, unsigned long) const –> const class core::conformation::Residue &

backbone_for_resid_bbconf(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, resid: int, bbconf: int) pyrosetta.rosetta.core.conformation.Residue

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::backbone_for_resid_bbconf(unsigned long, unsigned long) const –> const class core::conformation::Residue &

bbconf_for_rotamer(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, rotamer_id: int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::bbconf_for_rotamer(unsigned long) const –> unsigned long

bbconf_for_rotamer_on_moltenres(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, moltenres: int, rotamer_id: int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::bbconf_for_rotamer_on_moltenres(unsigned long, unsigned long) const –> unsigned long

build_rotamers(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, pose: pyrosetta.rosetta.core.pose.Pose, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction, flexpack_neighbor_graph: pyrosetta.rosetta.utility.graph.Graph) None

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::build_rotamers(const class core::pose::Pose &, const class core::scoring::ScoreFunction &, const class utility::graph::Graph &) –> void

compute_one_body_energies_for_otf_ig(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, pose: pyrosetta.rosetta.core.pose.Pose, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction, flexpack_neighbor_graph: pyrosetta.rosetta.utility.graph.Graph, flexbb_ig: pyrosetta.rosetta.protocols.flexpack.interaction_graph.OTFFlexbbInteractionGraph) None

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::compute_one_body_energies_for_otf_ig(const class core::pose::Pose &, const class core::scoring::ScoreFunction &, class std::shared_ptr<const class utility::graph::Graph>, class protocols::flexpack::interaction_graph::OTFFlexbbInteractionGraph &) const –> void

determine_res_cb_deviation(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, pose: pyrosetta.rosetta.core.pose.Pose, resid: int) float

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::determine_res_cb_deviation(const class core::pose::Pose &, unsigned long) const –> double

dump_pdbs(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, pose: pyrosetta.rosetta.core.pose.Pose, filename_base: str) None

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::dump_pdbs(const class core::pose::Pose &, const std::string &) const –> void

flexpack_neighbor_graph(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, pose: pyrosetta.rosetta.core.pose.Pose, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction, task: pyrosetta.rosetta.core.pack.task.PackerTask) pyrosetta.rosetta.utility.graph.Graph

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::flexpack_neighbor_graph(const class core::pose::Pose &, const class core::scoring::ScoreFunction &, class std::shared_ptr<const class core::pack::task::PackerTask>) const –> class std::shared_ptr<class utility::graph::Graph>

flexsegid_for_moltenres(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, molten_resid: int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::flexsegid_for_moltenres(unsigned long) const –> unsigned long

flexsegid_for_res(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, resid: int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::flexsegid_for_res(unsigned long) const –> unsigned long

flexsegment_size(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, flex_segment_id: int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::flexsegment_size(unsigned long) const –> unsigned long

flexsegment_start_moltenresid(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, flex_segment_id: int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::flexsegment_start_moltenresid(unsigned long) const –> unsigned long

flexsegment_start_resid(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, flex_segment_id: int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::flexsegment_start_resid(unsigned long) const –> unsigned long

flexsegment_stop_moltenresid(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, flex_segment_id: int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::flexsegment_stop_moltenresid(unsigned long) const –> unsigned long

flexsegment_stop_resid(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, flex_segment_id: int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::flexsegment_stop_resid(unsigned long) const –> unsigned long

get_self_ptr(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets) pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::get_self_ptr() –> class std::shared_ptr<class protocols::flexpack::rotamer_set::FlexbbRotamerSets>

get_self_weak_ptr(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets) pyrosetta.rosetta.std.weak_ptr_protocols_flexpack_rotamer_set_FlexbbRotamerSets_t

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::get_self_weak_ptr() –> class std::weak_ptr<class protocols::flexpack::rotamer_set::FlexbbRotamerSets>

global_rotid_start_for_moltenres_in_bbconf(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, moltenres: int, bbconf: int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::global_rotid_start_for_moltenres_in_bbconf(unsigned long, unsigned long) const –> unsigned long

initialize_pose_for_rotsets_creation(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, : pyrosetta.rosetta.core.pose.Pose) None

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::initialize_pose_for_rotsets_creation(class core::pose::Pose &) const –> void

local_rotid_for_rotamer(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, rotamer_id: int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::local_rotid_for_rotamer(unsigned long) const –> unsigned long

local_rotid_for_rotamer_on_moltenres(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, moltenres: int, rotamer_id: int) int

Input: rotid in global enumeration, Output rotid in local enumeration

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::local_rotid_for_rotamer_on_moltenres(unsigned long, unsigned long) const –> unsigned long

local_rotid_start_for_moltenres_in_bbconf(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, moltenres: int, bbconf: int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::local_rotid_start_for_moltenres_in_bbconf(unsigned long, unsigned long) const –> unsigned long

moltenres_2_resid(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, : int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::moltenres_2_resid(unsigned long) const –> unsigned long

moltenres_for_rotamer(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, : int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::moltenres_for_rotamer(unsigned long) const –> unsigned long

moltenres_part_of_flexsegment(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, molten_resid: int) bool

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::moltenres_part_of_flexsegment(unsigned long) const –> bool

moltenres_rotid_2_rotid(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, moltenres: int, moltenresrotid: int) int

convert moltenres rotid to id in full rotamer enumeration

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::moltenres_rotid_2_rotid(unsigned long, unsigned long) const –> unsigned long

nbackbone_conformations(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets) int
the “total” number of backbone conformations, counting the input conformation

for all flexible segments (but not counting the input conformation for residues with only a single backbone conformation)

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::nbackbone_conformations() const –> unsigned long

nbbconfs_for_flexseg(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, flex_segment_id: int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::nbbconfs_for_flexseg(unsigned long) const –> unsigned long

nbbconfs_for_moltenres(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, moltenres: int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::nbbconfs_for_moltenres(unsigned long) const –> unsigned long

nbbconfs_for_res(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, resid: int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::nbbconfs_for_res(unsigned long) const –> unsigned long

nflexible_segments(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::nflexible_segments() const –> unsigned long

nmolten_res(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::nmolten_res() const –> unsigned long

nmoltenres(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::nmoltenres() const –> unsigned long

nrotamer_offset_for_moltenres(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, : int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::nrotamer_offset_for_moltenres(unsigned long) const –> unsigned long

nrotamers(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets) int

Virtual functions from base class

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::nrotamers() const –> unsigned long

nrotamers_for_moltenres(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, : int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::nrotamers_for_moltenres(unsigned long) const –> unsigned long

nrotamers_for_moltenres_in_bbconf(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, moltenres: int, bbconf: int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::nrotamers_for_moltenres_in_bbconf(unsigned long, unsigned long) const –> unsigned long

nrotamers_for_res(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, resid: int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::nrotamers_for_res(unsigned long) const –> unsigned long

nrotamers_for_resid_in_bbconf(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, resid: int, bbconf: int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::nrotamers_for_resid_in_bbconf(unsigned long, unsigned long) const –> unsigned long

num_states_per_backbone_for_moltenres(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, moltenres: int) pyrosetta.rosetta.utility.vector1_unsigned_long

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::num_states_per_backbone_for_moltenres(unsigned long) const –> const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &

precompute_all_energies(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, pose: pyrosetta.rosetta.core.pose.Pose, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction, flexpack_neighbor_graph: pyrosetta.rosetta.utility.graph.Graph, flexbb_ig: pyrosetta.rosetta.protocols.flexpack.interaction_graph.PrecomputedFlexbbInteractionGraph) None

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::precompute_all_energies(const class core::pose::Pose &, const class core::scoring::ScoreFunction &, class std::shared_ptr<const class utility::graph::Graph>, class protocols::flexpack::interaction_graph::PrecomputedFlexbbInteractionGraph &) const –> void

precompute_energies(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, pose: pyrosetta.rosetta.core.pose.Pose, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction, flexpack_neighbor_graph: pyrosetta.rosetta.utility.graph.Graph, flexbb_ig: pyrosetta.rosetta.protocols.flexpack.interaction_graph.FlexbbInteractionGraph) None

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::precompute_energies(const class core::pose::Pose &, const class core::scoring::ScoreFunction &, class std::shared_ptr<const class utility::graph::Graph>, class protocols::flexpack::interaction_graph::FlexbbInteractionGraph &) const –> void

res_for_rotamer(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, : int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::res_for_rotamer(unsigned long) const –> unsigned long

res_part_of_flexsegment(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, resid: int) bool

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::res_part_of_flexsegment(unsigned long) const –> bool

resid_2_moltenres(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, : int) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::resid_2_moltenres(unsigned long) const –> unsigned long

rotamer(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, : int) pyrosetta.rosetta.core.conformation.Residue

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::rotamer(unsigned long) const –> class std::shared_ptr<const class core::conformation::Residue>

rotamer_for_moltenres(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, moltenres_id: int, rotamerid: int) pyrosetta.rosetta.core.conformation.Residue

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::rotamer_for_moltenres(unsigned long, unsigned long) const –> class std::shared_ptr<const class core::conformation::Residue>

rotamer_for_residue(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, resid: int, rotindex_on_residue: int) pyrosetta.rosetta.core.conformation.Residue

Rotamer indexed locally

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::rotamer_for_residue(unsigned long, unsigned long) const –> class std::shared_ptr<const class core::conformation::Residue>

rotamers_on_same_bbconf(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, moltenres: int, rot1: int, rot2: int) bool
Do two rotamers originate from the same backbone conformation?

Local enumeration for both rot1 and rot2; rot1 and rot2 must be rotamers of the same molten residue.

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::rotamers_on_same_bbconf(unsigned long, unsigned long, unsigned long) const –> bool

rotid_on_moltenresidue(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, rotid: int) int

convert rotid in full rotamer enumeration into rotamer id on its source residue

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::rotid_on_moltenresidue(unsigned long) const –> unsigned long

rotset_for_moltenres(*args, **kwargs)

Overloaded function.

  1. rotset_for_moltenres(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, molten_resid: int) -> pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSet

  2. rotset_for_moltenres(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, molten_resid: int, bbconf: int) -> pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSet

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::rotset_for_moltenres(unsigned long, unsigned long) const –> class std::shared_ptr<const class protocols::flexpack::rotamer_set::FlexbbRotamerSet>

rotset_for_residue(*args, **kwargs)

Overloaded function.

  1. rotset_for_residue(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, resid: int) -> pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSet

  2. rotset_for_residue(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, resid: int, bbconf: int) -> pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSet

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::rotset_for_residue(unsigned long, unsigned long) const –> class std::shared_ptr<const class protocols::flexpack::rotamer_set::FlexbbRotamerSet>

set_frames(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, pose: pyrosetta.rosetta.core.pose.Pose, frames: pyrosetta.rosetta.utility.vector1_std_shared_ptr_const_core_fragment_Frame_t) None

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::set_frames(const class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<const class core::fragment::Frame>, class std::allocator<class std::shared_ptr<const class core::fragment::Frame> > > &) –> void

show(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets, out: pyrosetta.rosetta.std.ostream) None

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::show(std::ostream &) const –> void

total_residue(self: pyrosetta.rosetta.protocols.flexpack.rotamer_set.FlexbbRotamerSets) int

C++: protocols::flexpack::rotamer_set::FlexbbRotamerSets::total_residue() const –> unsigned long