enzutil

Bindings for protocols::enzdes::enzutil namespace

pyrosetta.rosetta.protocols.enzdes.enzutil.catalytic_res(pose: pyrosetta.rosetta.core.pose.Pose) → pyrosetta.rosetta.utility.vector1_unsigned_long

C++: protocols::enzdes::enzutil::catalytic_res(const class core::pose::Pose &) –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >

pyrosetta.rosetta.protocols.enzdes.enzutil.create_remark_headers_from_cstcache(pose: pyrosetta.rosetta.core.pose.Pose) → None

function to write proper remark headers

from whatever is found in the pose cstcache

C++: protocols::enzdes::enzutil::create_remark_headers_from_cstcache(class core::pose::Pose &) –> void

pyrosetta.rosetta.protocols.enzdes.enzutil.disable_constraint_scoreterms(scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → None

C++: protocols::enzdes::enzutil::disable_constraint_scoreterms(class std::shared_ptr<class core::scoring::ScoreFunction>) –> void

pyrosetta.rosetta.protocols.enzdes.enzutil.enable_constraint_scoreterms(scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → None

C++: protocols::enzdes::enzutil::enable_constraint_scoreterms(class std::shared_ptr<class core::scoring::ScoreFunction>) –> void

pyrosetta.rosetta.protocols.enzdes.enzutil.get_enzcst_io(pose: pyrosetta.rosetta.core.pose.Pose) → pyrosetta.rosetta.protocols.toolbox.match_enzdes_util.EnzConstraintIO

convenience function to get enzdes cst io out of

cst cache. note: may return empty pointer in case cst cache wasn’t set yet

C++: protocols::enzdes::enzutil::get_enzcst_io(const class core::pose::Pose &) –> class std::shared_ptr<const class protocols::toolbox::match_enzdes_util::EnzConstraintIO>

pyrosetta.rosetta.protocols.enzdes.enzutil.get_pdb_code_from_pose_tag(pose: pyrosetta.rosetta.core.pose.Pose) → str

C++: protocols::enzdes::enzutil::get_pdb_code_from_pose_tag(const class core::pose::Pose &) –> std::string

pyrosetta.rosetta.protocols.enzdes.enzutil.get_resnum_from_cstid(cstid: str, pose: pyrosetta.rosetta.core.pose.Pose) → int

C++: protocols::enzdes::enzutil::get_resnum_from_cstid(const class std::basic_string<char> &, const class core::pose::Pose &) –> unsigned long

pyrosetta.rosetta.protocols.enzdes.enzutil.get_resnum_from_cstid_list(cstidlist: str, pose: pyrosetta.rosetta.core.pose.Pose, resnums: pyrosetta.rosetta.utility.vector1_unsigned_long) → None

C++: protocols::enzdes::enzutil::get_resnum_from_cstid_list(const class std::basic_string<char> &, const class core::pose::Pose &, class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void

pyrosetta.rosetta.protocols.enzdes.enzutil.is_catalytic_seqpos(pose: pyrosetta.rosetta.core.pose.Pose, seqpos: int) → bool

queries whether a certain position is considered catalytic,

i.e. if the residue is constrained according to the enzdes constraint file

C++: protocols::enzdes::enzutil::is_catalytic_seqpos(const class core::pose::Pose &, const unsigned long) –> bool

pyrosetta.rosetta.protocols.enzdes.enzutil.is_scofx_cstfied(scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → bool

C++: protocols::enzdes::enzutil::is_scofx_cstfied(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> bool

pyrosetta.rosetta.protocols.enzdes.enzutil.make_continuous_true_regions_in_bool_vector(the_vector: pyrosetta.rosetta.utility.vector1_bool, min_number_continuous_trues: int) → None

C++: protocols::enzdes::enzutil::make_continuous_true_regions_in_bool_vector(class utility::vector1<bool, class std::allocator<bool> > &, const unsigned long) –> void

pyrosetta.rosetta.protocols.enzdes.enzutil.read_pose_from_file(pose: pyrosetta.rosetta.core.pose.Pose, filename: str) → None

C++: protocols::enzdes::enzutil::read_pose_from_file(class core::pose::Pose &, const class std::basic_string<char> &) –> void

pyrosetta.rosetta.protocols.enzdes.enzutil.recreate_task(pose: pyrosetta.rosetta.core.pose.Pose, orig_task: pyrosetta.rosetta.core.pack.task.PackerTask) → pyrosetta.rosetta.core.pack.task.PackerTask

C++: protocols::enzdes::enzutil::recreate_task(const class core::pose::Pose &, const class core::pack::task::PackerTask &) –> class std::shared_ptr<class core::pack::task::PackerTask>

pyrosetta.rosetta.protocols.enzdes.enzutil.remove_all_enzdes_constraints(pose: pyrosetta.rosetta.core.pose.Pose) → None

C++: protocols::enzdes::enzutil::remove_all_enzdes_constraints(class core::pose::Pose &) –> void

pyrosetta.rosetta.protocols.enzdes.enzutil.remove_remark_header_for_geomcst(pose: pyrosetta.rosetta.core.pose.Pose, geomcst: int) → None

C++: protocols::enzdes::enzutil::remove_remark_header_for_geomcst(class core::pose::Pose &, unsigned long) –> void

pyrosetta.rosetta.protocols.enzdes.enzutil.scorefxn_update_from_options(scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → None

C++: protocols::enzdes::enzutil::scorefxn_update_from_options(class std::shared_ptr<class core::scoring::ScoreFunction>) –> void

pyrosetta.rosetta.protocols.enzdes.enzutil.sum_constraint_scoreterms(pose: pyrosetta.rosetta.core.pose.Pose, which_res: int) → float

sums up coordinate, atom_pair, angle, and dihedral constraint

scores for the residue in question. in case which_res is -1, the scores for the whole pose will be taken

C++: protocols::enzdes::enzutil::sum_constraint_scoreterms(const class core::pose::Pose &, int) –> double