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Sourcecode: python-biopython version File versions  Download package

def Bio.SVDSuperimposer.SVDSuperimposer.SVDSuperimposer.set (   self,
  reference_coords,
  coords 
)
Set the coordinates to be superimposed.
coords will be put on top of reference_coords.

o reference_coords: an NxDIM array
o coords: an NxDIM array

DIM is the dimension of the points, N is the number
of points to be superimposed.

Definition at line 45 of file SVDSuperimposer.py.

References Bio.SVDSuperimposer.SVDSuperimposer.SVDSuperimposer._clear(), Bio.SVDSuperimposer.SVDSuperimposer.SVDSuperimposer._rms(), Bio.SVDSuperimposer.SVDSuperimposer.SVDSuperimposer.coords, Bio.PDB.NeighborSearch.NeighborSearch.coords, Bio.SVDSuperimposer.SVDSuperimposer.SVDSuperimposer.get_transformed(), Bio.SVDSuperimposer.SVDSuperimposer.SVDSuperimposer.init_rms, Bio.SVDSuperimposer.SVDSuperimposer.SVDSuperimposer.n, PyTree.n, Bio.SVDSuperimposer.SVDSuperimposer.SVDSuperimposer.reference_coords, Bio.PDB.Superimposer.Superimposer.rms, Bio.SVDSuperimposer.SVDSuperimposer.SVDSuperimposer.rms, Bio.SVDSuperimposer.SVDSuperimposer.SVDSuperimposer.rot, Bio.SVDSuperimposer.SVDSuperimposer.SVDSuperimposer.tran, and Bio.SVDSuperimposer.SVDSuperimposer.SVDSuperimposer.transformed_coords.

00045 
    def set(self, reference_coords, coords):
        """
        Set the coordinates to be superimposed.
        coords will be put on top of reference_coords.

        o reference_coords: an NxDIM array
        o coords: an NxDIM array

        DIM is the dimension of the points, N is the number
        of points to be superimposed.
        """
        # clear everything from previous runs
        self._clear()
        # store cordinates
        self.reference_coords=reference_coords
        self.coords=coords
        n=reference_coords.shape
        m=coords.shape
        if n!=m or not(n[1]==m[1]==3):
            raise Exception("Coordinate number/dimension mismatch.")
        self.n=n[0]

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