diff --git a/packman/utilities/utilities.py b/packman/utilities/utilities.py index 2e87f78..faeca67 100644 --- a/packman/utilities/utilities.py +++ b/packman/utilities/utilities.py @@ -66,7 +66,7 @@ def superimporse(reference: 'Chain', target: 'Chain', use: str='calpha', ids: Li Bm = numpy.subtract(atoms2_location, Centroid2) #Dot is matrix multiplication for array - H = numpy.mat(Bm.T) * numpy.mat(Am) + H = numpy.asmatrix(Bm.T) * numpy.asmatrix(Am) #Find Rotation U, S, Vt = numpy.linalg.svd(H)