carbohydrates¶
Bindings for core::pose::carbohydrates namespace
- pyrosetta.rosetta.core.pose.carbohydrates.align_virtual_atoms_in_carbohydrate_residue(pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int) None ¶
- Set coordinates of virtual atoms (used as angle reference points) within a saccharide residue of the given
pose.
C++: core::pose::carbohydrates::align_virtual_atoms_in_carbohydrate_residue(class core::pose::Pose &, const unsigned long) –> void
- pyrosetta.rosetta.core.pose.carbohydrates.create_glycan_movemap_from_residue_selector(*args, **kwargs)¶
Overloaded function.
create_glycan_movemap_from_residue_selector(pose: pyrosetta.rosetta.core.pose.Pose, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) -> pyrosetta.rosetta.core.kinematics.MoveMap
create_glycan_movemap_from_residue_selector(pose: pyrosetta.rosetta.core.pose.Pose, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector, include_iupac_chi: bool) -> pyrosetta.rosetta.core.kinematics.MoveMap
create_glycan_movemap_from_residue_selector(pose: pyrosetta.rosetta.core.pose.Pose, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector, include_iupac_chi: bool, include_glycan_ring_torsions: bool) -> pyrosetta.rosetta.core.kinematics.MoveMap
create_glycan_movemap_from_residue_selector(pose: pyrosetta.rosetta.core.pose.Pose, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector, include_iupac_chi: bool, include_glycan_ring_torsions: bool, include_bb_torsions: bool) -> pyrosetta.rosetta.core.kinematics.MoveMap
create_glycan_movemap_from_residue_selector(pose: pyrosetta.rosetta.core.pose.Pose, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector, include_iupac_chi: bool, include_glycan_ring_torsions: bool, include_bb_torsions: bool, cartesian: bool) -> pyrosetta.rosetta.core.kinematics.MoveMap
- Get a pre-configured movemap from a residue selector.
Use the ReturnResidueSubsetSelector to obtain from a subset.
The Rosetta Movemap is VERY different from IUPAC-designated torsions for carbohydrates. NEVER attempt to create a MoveMap for carbohydrates unless you know what you are doing.
This will create a Movemap from the residue selector for ALL residues within it. including non-carbohydrates. This includes Chemical Edge Branch points, Mainchains, ASN->glycan linakge, etc.
- include_iupac_chi:
Include the ‘carbohydrate ‘side-chains’ (rotatable OH groups) and any selected non-carbohydrate side-chain
- include_ring_torsions:
Include moveable ring torsions
- include_bb_torsions:
Include BB torsions (normal for protein) or between both carboydrate or ASN/Carbohydrate residues as defined by IUPAC.
IE for Carbohdrate linkage 1->5, the torsions of residue 5
C++: core::pose::carbohydrates::create_glycan_movemap_from_residue_selector(const class core::pose::Pose &, class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>, bool, bool, bool, bool) –> class std::shared_ptr<class core::kinematics::MoveMap>
- pyrosetta.rosetta.core.pose.carbohydrates.delete_carbohydrate_branch(pose: pyrosetta.rosetta.core.pose.Pose, delete_to: int) None ¶
- Delete the glycan from this residue onward toward the end of the branch. Like chopping off a tree trunk at position resnum (not including the resnum). Also known as defoliating.
If resnum is the protein branch point, will change variant.
C++: core::pose::carbohydrates::delete_carbohydrate_branch(class core::pose::Pose &, const unsigned long) –> void
- pyrosetta.rosetta.core.pose.carbohydrates.delete_leaf(*args, **kwargs)¶
Overloaded function.
delete_leaf(pose: pyrosetta.rosetta.core.pose.Pose, leaf: pyrosetta.rosetta.utility.vector1_unsigned_long) -> None
delete_leaf(pose: pyrosetta.rosetta.core.pose.Pose, leaf: pyrosetta.rosetta.utility.vector1_unsigned_long, ref_pose_name: str) -> None
Delete a leaf of glycan residues. Use the ReferencePose to associate residue numbers.
Uses delete_residue_slow as the debug_assert in delete_polymer_residue causes a crash. This is a bug in the FoldTree where chemical edges are being treated as Jumps. This is being addressed in a branch and a FoldTree.
C++: core::pose::carbohydrates::delete_leaf(class core::pose::Pose &, class utility::vector1<unsigned long, class std::allocator<unsigned long> >, std::string) –> void
- pyrosetta.rosetta.core.pose.carbohydrates.fill_downstream_children_res_and_tips(pose: pyrosetta.rosetta.core.pose.Pose, res: int, parent_residue: int, children_residues: pyrosetta.rosetta.utility.vector1_unsigned_long, list_of_residues: pyrosetta.rosetta.utility.vector1_unsigned_long, tips: pyrosetta.rosetta.utility.vector1_unsigned_long) None ¶
Find all children residues, list of residues, and any found tips from a given residue not including parent
Children Residues: Filled in list of children residues found if not tips. List Of Residues: All the residue nums found. Tips: All ‘ends’ of of children found.
- See Also: get_carbohydrate_residues_and_tips_of_branch
trim_carbohydrate_branch_from_X
C++: core::pose::carbohydrates::fill_downstream_children_res_and_tips(const class core::pose::Pose &, unsigned long, unsigned long, class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void
- pyrosetta.rosetta.core.pose.carbohydrates.get_branching_residues(pose: pyrosetta.rosetta.core.pose.Pose, parent_residue: int, children_residues: pyrosetta.rosetta.utility.vector1_unsigned_long, list_of_residues: pyrosetta.rosetta.utility.vector1_unsigned_long, tips: pyrosetta.rosetta.utility.vector1_unsigned_long) None ¶
- Recursive function to get branches of a set of residues, etc.
list_of_residues and tips are arrays are non-const references and modified by this function.
Children Residues: Residue nums of parent residue connected that we are interested in finding connected branchs. List Of Residues: All the residue nums of the branching from children residues Tips: All ‘ends’ of all the branches found using this function.
- See Also: get_carbohydrate_residues_and_tips_of_branch
trim_carbohydrate_branch_from_X
C++: core::pose::carbohydrates::get_branching_residues(const class core::pose::Pose &, unsigned long, class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void
- pyrosetta.rosetta.core.pose.carbohydrates.get_carbohydrate_residues_and_tips_of_branch(pose: pyrosetta.rosetta.core.pose.Pose, starting_position: int) Tuple[pyrosetta.rosetta.utility.vector1_unsigned_long, pyrosetta.rosetta.utility.vector1_unsigned_long] ¶
- Get residues further down the branch from this residue. starting_position ->
Returns pair of all_upstream_residues, tips. Tips are the ends of linear glycan branches.
C++: core::pose::carbohydrates::get_carbohydrate_residues_and_tips_of_branch(const class core::pose::Pose &, const unsigned long) –> struct std::pair<class utility::vector1<unsigned long, class std::allocator<unsigned long> >, class utility::vector1<unsigned long, class std::allocator<unsigned long> > >
- pyrosetta.rosetta.core.pose.carbohydrates.get_carbohydrate_residues_of_branch(pose: pyrosetta.rosetta.core.pose.Pose, starting_position: int) pyrosetta.rosetta.utility.vector1_unsigned_long ¶
Get residues further down the branch from this residue. starting_position ->
Convenience function. Calls get_carbohydrate_residues_and_tips_of_branch
C++: core::pose::carbohydrates::get_carbohydrate_residues_of_branch(const class core::pose::Pose &, const unsigned long) –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >
- pyrosetta.rosetta.core.pose.carbohydrates.get_carbohydrate_tips_of_branch(pose: pyrosetta.rosetta.core.pose.Pose, starting_position: int) pyrosetta.rosetta.utility.vector1_unsigned_long ¶
Get tips (end residue of linear components of branches) further down the branch from this residue. starting_position ->
Convenience function. Calls get_carbohydrate_residues_and_tips_of_branch
C++: core::pose::carbohydrates::get_carbohydrate_tips_of_branch(const class core::pose::Pose &, const unsigned long) –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >
- pyrosetta.rosetta.core.pose.carbohydrates.get_downstream_residue_that_this_torsion_moves(pose: pyrosetta.rosetta.core.pose.Pose, torsion_id: pyrosetta.rosetta.core.id.TorsionID) int ¶
Return the sequence position of the immediate downstream (child) residue affected by this torsion.
C++: core::pose::carbohydrates::get_downstream_residue_that_this_torsion_moves(const class core::pose::Pose &, const class core::id::TorsionID &) –> unsigned long
- pyrosetta.rosetta.core.pose.carbohydrates.get_glycan_connecting_protein_branch_point(pose: pyrosetta.rosetta.core.pose.Pose, protein_branch_point_resnum: int) int ¶
- Get the carbohydrate residue connecting the protein branch point.
Returns 0 if branch point is not connected to carbohydrate downstream.
C++: core::pose::carbohydrates::get_glycan_connecting_protein_branch_point(const class core::pose::Pose &, const unsigned long) –> unsigned long
- pyrosetta.rosetta.core.pose.carbohydrates.get_glycan_position_from_resnum(pose: pyrosetta.rosetta.core.pose.Pose, first_glycan_resnum: int, resnum: int) int ¶
- Get the particular resnum from a glycan position, givin the protein branch point.
The glycan_position is numbered 1 -> length of glycan. This is useful for easily identifying a particular glycan position. Returns 0 if that glycan_position is not part of the glycan we are interested in or not in pose.
C++: core::pose::carbohydrates::get_glycan_position_from_resnum(const class core::pose::Pose &, const unsigned long, const unsigned long) –> unsigned long
- pyrosetta.rosetta.core.pose.carbohydrates.get_glycosidic_bond_residues(pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int) Tuple[pyrosetta.rosetta.core.conformation.Residue, pyrosetta.rosetta.core.conformation.Residue] ¶
Return pointers to the two residues of the glycosidic bond.
C++: core::pose::carbohydrates::get_glycosidic_bond_residues(const class core::pose::Pose &, const unsigned long) –> struct std::pair<class std::shared_ptr<const class core::conformation::Residue>, class std::shared_ptr<const class core::conformation::Residue> >
- pyrosetta.rosetta.core.pose.carbohydrates.get_glycosidic_torsion(named_torsion: int, pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int) float ¶
Return the requested torsion angle between a saccharide residue of the given pose and the previous residue.
C++: core::pose::carbohydrates::get_glycosidic_torsion(const unsigned long, const class core::pose::Pose &, const unsigned long) –> double
- pyrosetta.rosetta.core.pose.carbohydrates.get_mainchain_children(*args, **kwargs)¶
Overloaded function.
get_mainchain_children(pose: pyrosetta.rosetta.core.pose.Pose, starting_resnum: int) -> pyrosetta.rosetta.utility.vector1_bool
get_mainchain_children(pose: pyrosetta.rosetta.core.pose.Pose, starting_resnum: int, include_starting_resnum: bool) -> pyrosetta.rosetta.utility.vector1_bool
///////////////////////// Branch Deletion ////////////////////////////////////////
C++: core::pose::carbohydrates::get_mainchain_children(const class core::pose::Pose &, unsigned long, bool) –> class utility::vector1<bool, class std::allocator<bool> >
- pyrosetta.rosetta.core.pose.carbohydrates.get_n_glycosidic_torsions_in_res(pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int) int ¶
Get the number of glycosidic torsions for this residue. Up to 4 (omega2).
C++: core::pose::carbohydrates::get_n_glycosidic_torsions_in_res(const class core::pose::Pose &, const unsigned long) –> unsigned long
- pyrosetta.rosetta.core.pose.carbohydrates.get_reference_atoms(named_torsion: int, pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int) pyrosetta.rosetta.utility.vector1_core_id_AtomID ¶
Return the AtomIDs of the four reference atoms for the requested torsion.
C++: core::pose::carbohydrates::get_reference_atoms(const unsigned long, const class core::pose::Pose &, const unsigned long) –> class utility::vector1<class core::id::AtomID, class std::allocator<class core::id::AtomID> >
- pyrosetta.rosetta.core.pose.carbohydrates.get_reference_atoms_for_1st_omega(pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int) pyrosetta.rosetta.utility.vector1_core_id_AtomID ¶
Return the AtomIDs of the four omega torsion reference atoms.
C++: core::pose::carbohydrates::get_reference_atoms_for_1st_omega(const class core::pose::Pose &, const unsigned long) –> class utility::vector1<class core::id::AtomID, class std::allocator<class core::id::AtomID> >
- pyrosetta.rosetta.core.pose.carbohydrates.get_reference_atoms_for_2nd_omega(pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int) pyrosetta.rosetta.utility.vector1_core_id_AtomID ¶
Return the AtomIDs of the four omega2 torsion reference atoms.
C++: core::pose::carbohydrates::get_reference_atoms_for_2nd_omega(const class core::pose::Pose &, const unsigned long) –> class utility::vector1<class core::id::AtomID, class std::allocator<class core::id::AtomID> >
- pyrosetta.rosetta.core.pose.carbohydrates.get_reference_atoms_for_phi(pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int) pyrosetta.rosetta.utility.vector1_core_id_AtomID ¶
Return the AtomIDs of the four phi torsion reference atoms.
C++: core::pose::carbohydrates::get_reference_atoms_for_phi(const class core::pose::Pose &, const unsigned long) –> class utility::vector1<class core::id::AtomID, class std::allocator<class core::id::AtomID> >
- pyrosetta.rosetta.core.pose.carbohydrates.get_reference_atoms_for_psi(pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int) pyrosetta.rosetta.utility.vector1_core_id_AtomID ¶
Return the AtomIDs of the four psi torsion reference atoms.
C++: core::pose::carbohydrates::get_reference_atoms_for_psi(const class core::pose::Pose &, const unsigned long) –> class utility::vector1<class core::id::AtomID, class std::allocator<class core::id::AtomID> >
- pyrosetta.rosetta.core.pose.carbohydrates.get_resnum_from_glycan_position(pose: pyrosetta.rosetta.core.pose.Pose, first_glycan_resnum: int, glycan_position: int) int ¶
- Get the particular resnum from a glycan position, givin the protein branch point.
The glycan_position is numbered 1 -> length of glycan. This is useful for easily identifying a particular glycan position. Returns 0 if that glycan_position is not part of the glycan we are interested in or not in pose.
C++: core::pose::carbohydrates::get_resnum_from_glycan_position(const class core::pose::Pose &, const unsigned long, const unsigned long) –> unsigned long
- pyrosetta.rosetta.core.pose.carbohydrates.get_resnums_from_glycan_positions(*args, **kwargs)¶
Overloaded function.
get_resnums_from_glycan_positions(pose: pyrosetta.rosetta.core.pose.Pose, first_glycan_resnum: int, glycan_positions: pyrosetta.rosetta.utility.vector1_unsigned_long) -> pyrosetta.rosetta.utility.vector1_bool
- Get all resnums from specific glycan positions given the particular glycan. Positions correspond to a number 1 -> that corresponds to each residue.
Use glycan_info app for more.
C++: core::pose::carbohydrates::get_resnums_from_glycan_positions(const class core::pose::Pose &, const unsigned long, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> class utility::vector1<bool, class std::allocator<bool> >
get_resnums_from_glycan_positions(pose: pyrosetta.rosetta.core.pose.Pose, glycan_positions: pyrosetta.rosetta.utility.vector1_unsigned_long) -> pyrosetta.rosetta.utility.vector1_bool
- Get all resnums for all glycans in the pose. Positions correspond to a number 1 -> that corresponds to each residue.
Use glycan_info app for more. Glycan positions do not need to exist for all glcyans.
C++: core::pose::carbohydrates::get_resnums_from_glycan_positions(const class core::pose::Pose &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> class utility::vector1<bool, class std::allocator<bool> >
- pyrosetta.rosetta.core.pose.carbohydrates.get_resnums_in_leaf(pose: pyrosetta.rosetta.core.pose.Pose, tip_residue: int, stop_at_residue: int) pyrosetta.rosetta.utility.vector1_unsigned_long ¶
- Get all residue numbers in order from the tip to (and not including) stop_at_residue or a branch point.
All residue numbers are the tip or a linear polymer of glycans. Useful for glycan stripping.
C++: core::pose::carbohydrates::get_resnums_in_leaf(const class core::pose::Pose &, unsigned long, unsigned long) –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >
- pyrosetta.rosetta.core.pose.carbohydrates.get_resnums_in_leaf_on_the_fly(pose: pyrosetta.rosetta.core.pose.Pose, tip_residue: int, stop_at_residue: int) pyrosetta.rosetta.utility.vector1_unsigned_long ¶
- Get all residue numbers in order from the tip to (and not including) stop_at_residue or a branch point.
All residue numbers are the tip or a linear polymer of glycans. Useful for glycan stripping.
Do not use glycan_tree_set to get parent information.
C++: core::pose::carbohydrates::get_resnums_in_leaf_on_the_fly(const class core::pose::Pose &, unsigned long, unsigned long) –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >
- pyrosetta.rosetta.core.pose.carbohydrates.glycosylate_pose(*args, **kwargs)¶
Overloaded function.
glycosylate_pose(pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int, atom_name: str, iupac_sequence: str) -> None
glycosylate_pose(pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int, atom_name: str, iupac_sequence: str, idealize_linkages: bool) -> None
glycosylate_pose(pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int, atom_name: str, iupac_sequence: str, idealize_linkages: bool, keep_pdbinfo: bool) -> None
Glycosylate the Pose at the given sequence position and atom using an IUPAC sequence.
C++: core::pose::carbohydrates::glycosylate_pose(class core::pose::Pose &, const unsigned long, const std::string &, const std::string &, bool, bool) –> void
glycosylate_pose(pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int, iupac_sequence: str) -> None
glycosylate_pose(pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int, iupac_sequence: str, idealize_linkages: bool) -> None
glycosylate_pose(pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int, iupac_sequence: str, idealize_linkages: bool, keep_pdbinfo: bool) -> None
Glycosylate the Pose at the given sequence position using an IUPAC sequence.
C++: core::pose::carbohydrates::glycosylate_pose(class core::pose::Pose &, const unsigned long, const std::string &, const bool, bool) –> void
- pyrosetta.rosetta.core.pose.carbohydrates.glycosylate_pose_by_file(*args, **kwargs)¶
Overloaded function.
glycosylate_pose_by_file(pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int, atom_name: str, filename: str) -> None
glycosylate_pose_by_file(pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int, atom_name: str, filename: str, idealize_linkages: bool) -> None
glycosylate_pose_by_file(pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int, atom_name: str, filename: str, idealize_linkages: bool, keep_pdbinfo: bool) -> None
Glycosylate the Pose at the given sequence position and atom using a .GWS or IUPAC sequence file.
C++: core::pose::carbohydrates::glycosylate_pose_by_file(class core::pose::Pose &, const unsigned long, const std::string &, const std::string &, const bool, bool) –> void
glycosylate_pose_by_file(pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int, filename: str) -> None
glycosylate_pose_by_file(pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int, filename: str, idealize_linkages: bool) -> None
glycosylate_pose_by_file(pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int, filename: str, idealize_linkages: bool, keep_pdbinfo: bool) -> None
Glycosylate the Pose at the given sequence position using a .GWS or IUPAC sequence file.
C++: core::pose::carbohydrates::glycosylate_pose_by_file(class core::pose::Pose &, const unsigned long, const std::string &, const bool, bool) –> void
- pyrosetta.rosetta.core.pose.carbohydrates.idealize_last_n_glycans_in_pose(pose: pyrosetta.rosetta.core.pose.Pose, n_glycans_added: int) None ¶
Idealize the glycosidic torsion angles for the last n glycan residues added or built.
C++: core::pose::carbohydrates::idealize_last_n_glycans_in_pose(class core::pose::Pose &, const unsigned long) –> void
- pyrosetta.rosetta.core.pose.carbohydrates.is_glycosidic_omega2_torsion(pose: pyrosetta.rosetta.core.pose.Pose, torsion_id: pyrosetta.rosetta.core.id.TorsionID) bool ¶
Is this is a 2nd omega torsion angle of a glycosidic linkage?
C++: core::pose::carbohydrates::is_glycosidic_omega2_torsion(const class core::pose::Pose &, const class core::id::TorsionID &) –> bool
- pyrosetta.rosetta.core.pose.carbohydrates.is_glycosidic_omega3_torsion(pose: pyrosetta.rosetta.core.pose.Pose, torsion_id: pyrosetta.rosetta.core.id.TorsionID) bool ¶
Is this is a 3rd omega torsion angle of a glycosidic linkage?
C++: core::pose::carbohydrates::is_glycosidic_omega3_torsion(const class core::pose::Pose &, const class core::id::TorsionID &) –> bool
- pyrosetta.rosetta.core.pose.carbohydrates.is_glycosidic_omega_torsion(pose: pyrosetta.rosetta.core.pose.Pose, torsion_id: pyrosetta.rosetta.core.id.TorsionID) bool ¶
Is this is a 1st omega torsion angle of a glycosidic linkage?
C++: core::pose::carbohydrates::is_glycosidic_omega_torsion(const class core::pose::Pose &, const class core::id::TorsionID &) –> bool
- pyrosetta.rosetta.core.pose.carbohydrates.is_glycosidic_phi_torsion(pose: pyrosetta.rosetta.core.pose.Pose, torsion_id: pyrosetta.rosetta.core.id.TorsionID) bool ¶
Is this is the phi torsion angle of a glycosidic linkage?
C++: core::pose::carbohydrates::is_glycosidic_phi_torsion(const class core::pose::Pose &, const class core::id::TorsionID &) –> bool
- pyrosetta.rosetta.core.pose.carbohydrates.is_glycosidic_psi_torsion(pose: pyrosetta.rosetta.core.pose.Pose, torsion_id: pyrosetta.rosetta.core.id.TorsionID) bool ¶
Is this is the psi torsion angle of a glycosidic linkage?
C++: core::pose::carbohydrates::is_glycosidic_psi_torsion(const class core::pose::Pose &, const class core::id::TorsionID &) –> bool
- pyrosetta.rosetta.core.pose.carbohydrates.is_glycosidic_torsion(pose: pyrosetta.rosetta.core.pose.Pose, torsion_id: pyrosetta.rosetta.core.id.TorsionID, torsion_type: pyrosetta.rosetta.core.id.MainchainTorsionType) bool ¶
Base function to reduce code-duplication in torsion queries.
C++: core::pose::carbohydrates::is_glycosidic_torsion(const class core::pose::Pose &, const class core::id::TorsionID &, const enum core::id::MainchainTorsionType &) –> bool
- pyrosetta.rosetta.core.pose.carbohydrates.remove_carbohydrate_branch_point_variants(pose: pyrosetta.rosetta.core.pose.Pose, seqpos: int) None ¶
Remove All/Any branch points from a carbohydrate or aa residue.
C++: core::pose::carbohydrates::remove_carbohydrate_branch_point_variants(class core::pose::Pose &, const unsigned long) –> void
- pyrosetta.rosetta.core.pose.carbohydrates.set_dihedrals_from_linkage_conformer_data(*args, **kwargs)¶
Overloaded function.
set_dihedrals_from_linkage_conformer_data(pose: pyrosetta.rosetta.core.pose.Pose, upper_residue: int, conformer: pyrosetta.rosetta.core.chemical.carbohydrates.LinkageConformerData) -> None
set_dihedrals_from_linkage_conformer_data(pose: pyrosetta.rosetta.core.pose.Pose, upper_residue: int, conformer: pyrosetta.rosetta.core.chemical.carbohydrates.LinkageConformerData, idealize: bool) -> None
set_dihedrals_from_linkage_conformer_data(pose: pyrosetta.rosetta.core.pose.Pose, upper_residue: int, conformer: pyrosetta.rosetta.core.chemical.carbohydrates.LinkageConformerData, idealize: bool, use_gaussian_sampling: bool) -> None
Set the dihedral angles involved in a glycosidic linkage based on statistical data.
Default behavior is to idealize will set the torsions based on the mean values of each torsion in the conformer
C++: core::pose::carbohydrates::set_dihedrals_from_linkage_conformer_data(class core::pose::Pose &, const unsigned long, const struct core::chemical::carbohydrates::LinkageConformerData &, bool, bool) –> void
- pyrosetta.rosetta.core.pose.carbohydrates.set_glycan_iupac_bb_torsions(*args, **kwargs)¶
Overloaded function.
set_glycan_iupac_bb_torsions(pose: pyrosetta.rosetta.core.pose.Pose, movemap: pyrosetta.rosetta.core.kinematics.MoveMap, resnum: int) -> None
set_glycan_iupac_bb_torsions(pose: pyrosetta.rosetta.core.pose.Pose, movemap: pyrosetta.rosetta.core.kinematics.MoveMap, resnum: int, action: bool) -> None
set_glycan_iupac_bb_torsions(pose: pyrosetta.rosetta.core.pose.Pose, movemap: pyrosetta.rosetta.core.kinematics.MoveMap, resnum: int, action: bool, cartesian: bool) -> None
Turn on/off IUPAC BBs for a particular residue number.
C++: core::pose::carbohydrates::set_glycan_iupac_bb_torsions(const class core::pose::Pose &, class core::kinematics::MoveMap &, const unsigned long, bool, bool) –> void
- pyrosetta.rosetta.core.pose.carbohydrates.set_glycan_iupac_chi_torsions(*args, **kwargs)¶
Overloaded function.
set_glycan_iupac_chi_torsions(pose: pyrosetta.rosetta.core.pose.Pose, movemap: pyrosetta.rosetta.core.kinematics.MoveMap, resnum: int) -> None
set_glycan_iupac_chi_torsions(pose: pyrosetta.rosetta.core.pose.Pose, movemap: pyrosetta.rosetta.core.kinematics.MoveMap, resnum: int, action: bool) -> None
set_glycan_iupac_chi_torsions(pose: pyrosetta.rosetta.core.pose.Pose, movemap: pyrosetta.rosetta.core.kinematics.MoveMap, resnum: int, action: bool, cartesian: bool) -> None
Turn on/off IUPAC CHIs for a particular residue number.
C++: core::pose::carbohydrates::set_glycan_iupac_chi_torsions(const class core::pose::Pose &, class core::kinematics::MoveMap &, const unsigned long, bool, bool) –> void
- pyrosetta.rosetta.core.pose.carbohydrates.set_glycosidic_torsion(named_torsion: int, pose: pyrosetta.rosetta.core.pose.Pose, sequence_position: int, setting: float) None ¶
Set the requested torsion angle between a saccharide residue of the given pose and the previous residue.
C++: core::pose::carbohydrates::set_glycosidic_torsion(const unsigned long, class core::pose::Pose &, const unsigned long, const double) –> void
- pyrosetta.rosetta.core.pose.carbohydrates.tautomerize_anomer(pose: pyrosetta.rosetta.core.pose.Pose, seqpos: int) None ¶
Switch one saccharide sugar with its anomer.
C++: core::pose::carbohydrates::tautomerize_anomer(class core::pose::Pose &, const unsigned long) –> void
- pyrosetta.rosetta.core.pose.carbohydrates.which_glycosidic_torsion(pose: pyrosetta.rosetta.core.pose.Pose, torsion_id: pyrosetta.rosetta.core.id.TorsionID) int ¶
- Get the torsion num that this torsionID moves.
Returns 0 if not any of the 4 canonical BB torsions up to omega2.
C++: core::pose::carbohydrates::which_glycosidic_torsion(const class core::pose::Pose &, const class core::id::TorsionID &) –> unsigned long