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Functions
pyrosetta.toolbox.mutants Namespace Reference

Functions

def restrict_non_nbrs_from_repacking
 
def mutate_residue
 

Function Documentation

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 basic::options::OptionKeys::relax::range.range, pyrosetta.toolbox.mutants.restrict_non_nbrs_from_repacking(), pyrosetta.standard_packer_task(), and pyrosetta.Vector1().

Referenced by pyrosetta.toolbox.mutants.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(), pyrosetta.toolbox.mutants.mutate_residue(), basic::options::OptionKeys::packing.prevent_repacking, basic::options::OptionKeys::relax::range.range, and basic::options::OptionKeys::in::file.xyz.

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