pyrosetta.toolbox.mutants Namespace Reference

Functions
def	restrict_non_nbrs_from_repacking (pose, res, task, pack_radius)
def	mutate_residue (pack_or_pose, mutant_position, mutant_aa, pack_radius=0., pack_scorefxn=None)

Function Documentation

mutate_residue()

def pyrosetta.toolbox.mutants.mutate_residue	(		pack_or_pose,
			mutant_position,
			mutant_aa,
			pack_radius = 0.,
			pack_scorefxn = None
	)

Replace the residue at a single position in a Pose with a new amino acid
    and repack any residues within user-defined radius of selected residue's
    center using.

Args:
    pack_or_pose (pyrosetta.rosetta.core.pose.Pose OR pyrosetta.distributed.packed_pose.PackedPose):
                the `Pose` instance to use.
    mutant_position (int): Pose-numbered position of the residue to mutate.
    mutant_aa (str): The single letter name for the desired amino acid.
    pack_radius (float): Radius used to define neighboring residues.
    pack_scorefxn (pyrosetta.ScoreFunction): `ScoreFunction` to use when repacking the `Pose`.
        Defaults to the standard `ScoreFunction`.

References enumerate_junctions.int, range, pyrosetta.toolbox.mutants.restrict_non_nbrs_from_repacking(), pyrosetta.standard_packer_task(), and pyrosetta.Vector1().

restrict_non_nbrs_from_repacking()

def pyrosetta.toolbox.mutants.restrict_non_nbrs_from_repacking	(		pose,
			res,
			task,
			pack_radius
	)

Configure a `PackerTask` to only repack neighboring residues and
return the task.

Args:
    pose (pyrosetta.Pose): The `Pose` to opertate on.
    res (int): Pose-numbered residue position to exclude.
    task (pyrosetta.rosetta.core.pack.task.PackerTask): `PackerTask` to modify.
    pack_radius (float): Radius used to define neighboring residues.

Returns:
    pyrosetta.rosetta.core.pack.task.PackerTask: Configured `PackerTask`.

References ObjexxFCL.len(), basic::options::OptionKeys::packing.prevent_repacking, range, and basic::options::OptionKeys::in::file.xyz.

Referenced by pyrosetta.toolbox.mutants.mutate_residue().