mutants

pyrosetta.toolbox.mutants.mutate_residue(pack_or_pose, mutant_position, mutant_aa, pack_radius=0.0, 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.

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.