r11657 - /branches/bmrb/generic_fns/diffusion_tensor.py -- October 25, 2010 - 09:56

Author: bugman
Date: Mon Oct 25 09:56:03 2010
New Revision: 11657

URL: http://svn.gna.org/viewcvs/relax?rev=11657&view=rev
Log:
Restored the reversal of the rotation matrix when determining Euler angles 
for a tensor in the PDB frame.


Modified:
    branches/bmrb/generic_fns/diffusion_tensor.py

Modified: branches/bmrb/generic_fns/diffusion_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/diffusion_tensor.py?rev=11657&r1=11656&r2=11657&view=diff
==============================================================================
--- branches/bmrb/generic_fns/diffusion_tensor.py (original)
+++ branches/bmrb/generic_fns/diffusion_tensor.py Mon Oct 25 09:56:03 2010
@@ -1769,6 +1769,9 @@
     if norm(cross(R_new[:, 0], R_new[:, 1]) - R_new[:, 2]) > 1e-7:
         R_new[:, 2] = -R_new[:, 2]
 
+    # Reverse the rotation.
+    R_new = transpose(R_new)
+
     # Euler angles (reverse rotation in the rotated axis system).
     gamma, beta, alpha = R_to_euler_zyz(R_new)