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Functions
pyrosetta.toolbox.extract_coords_pose Namespace Reference

Functions

def pose_coords_as_rows
 
def pose_coords_as_cols
 

Function Documentation

def pyrosetta.toolbox.extract_coords_pose.pose_coords_as_cols (   pack_or_pose,
  selection = list(),
  atom_names = list() 
)
Construct an ndarray of x, y, and z coordinates from all residues in selection
    and atom names in <atom_names> from <pose> as columns and return it.

Args:
    pack_or_pose (pyrosetta.rosetta.core.pose.Pose OR pyrosetta.distributed.packed_pose.PackedPose):
        the `Pose` instance from which coordinates will be extracted.
    selection (list): a list of residue numbers to use. Defaults to all residues.
    atom_names (list): a list of atom names to include. Defaults to all atoms.

Returns:
    numpy.ndarray: a 3xN array of coordinates.

References basic::options::OptionKeys::in::file.list.

def pyrosetta.toolbox.extract_coords_pose.pose_coords_as_rows (   pack_or_pose,
  selection = list(),
  atom_names = list() 
)
Construct an ndarray of x, y, and z coordinates from all residues in selection
    and atom names in <atom_names> from <pose> as rows and return it.

Args:
    pack_or_pose (pyrosetta.rosetta.core.pose.Pose OR pyrosetta.distributed.packed_pose.PackedPose):
        the `Pose` instance from which coordinates will be extracted.
    selection (list): a list of residue numbers to use. Defaults to all residues.
    atom_names (list): a list of atom names to include. Defaults to all atoms.

Returns:
    numpy.ndarray: an Nx3 array of coordinates.

References basic::options::OptionKeys::in::file.list, basic::options::OptionKeys::relax::range.range, and ObjexxFCL.strip().