Author: bugman Date: Mon Mar 4 15:52:58 2013 New Revision: 18615 URL: http://svn.gna.org/viewcvs/relax?rev=18615&view=rev Log: The displacement script now prints out the inverted Euler angles (the solution to the problem). Modified: branches/frame_order_testing/test_suite/shared_data/frame_order/displacements/displace.py Modified: branches/frame_order_testing/test_suite/shared_data/frame_order/displacements/displace.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/test_suite/shared_data/frame_order/displacements/displace.py?rev=18615&r1=18614&r2=18615&view=diff ============================================================================== --- branches/frame_order_testing/test_suite/shared_data/frame_order/displacements/displace.py (original) +++ branches/frame_order_testing/test_suite/shared_data/frame_order/displacements/displace.py Mon Mar 4 15:52:58 2013 @@ -1,10 +1,10 @@ # Rotate and translate the pseudo-molecule. # Python module imports. -from numpy import array, float64, zeros +from numpy import array, float64, transpose, zeros # relax module imports. -from maths_fns.rotation_matrix import euler_to_R_zyz +from maths_fns.rotation_matrix import euler_to_R_zyz, R_to_euler_zyz # Create a data pipe for the data. @@ -25,3 +25,9 @@ # Write out the new structure. structure.write_pdb('displaced.pdb', force=True) + +# Printout of the inverted Euler angles of rotation (the solution). +a, b, g = R_to_euler_zyz(transpose(R)) +print("alpha: %s" % a) +print("beta: %s" % b) +print("gamma: %s" % g)