diff --git a/mrdna/arbdmodel/coords.py b/mrdna/arbdmodel/coords.py index da1957322715cf0debe8e535f27b6829bbd06175..41e75dea11e52d5216a8d4bed6ade3836550837d 100644 --- a/mrdna/arbdmodel/coords.py +++ b/mrdna/arbdmodel/coords.py @@ -110,6 +110,7 @@ def quaternion_to_matrix(q): return np.array(R) def quaternion_from_matrix( R ): + R = R.T q = np.empty(4) if R[2,2] < 0: if R[0,0] > R[1,1]: