r2686 - /branches/tensor_pdb/generic_fns/pdb.py -- October 29, 2006 - 04:03

Author: bugman
Date: Sun Oct 29 04:03:13 2006
New Revision: 2686

URL: http://svn.gna.org/viewcvs/relax?rev=2686&view=rev
Log:
The uniform distribution of vectors has been rotated into the diffusion frame.

The geometric representation of the diffusion tensor is now of the correct 
orientation and shape!


Modified:
    branches/tensor_pdb/generic_fns/pdb.py

Modified: branches/tensor_pdb/generic_fns/pdb.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/tensor_pdb/generic_fns/pdb.py?rev=2686&r1=2685&r2=2686&view=diff
==============================================================================
--- branches/tensor_pdb/generic_fns/pdb.py (original)
+++ branches/tensor_pdb/generic_fns/pdb.py Sun Oct 29 04:03:13 2006
@@ -302,8 +302,11 @@
                 # Atom id.
                 atom_id = 'T' + `i` + 'P' + `j`
 
-                # Tranform from the structural into the diffusion frame.
-                vector = 
dot(transpose(self.relax.data.diff[self.run].tensor), vectors[index])
+                # Rotate the vector into the diffusion frame.
+                vector = 
dot(transpose(self.relax.data.diff[self.run].rotation), vectors[index])
+
+                # Set the length of the vector to its diffusion rate within 
the diffusion tensor geometric object.
+                vector = dot(self.relax.data.diff[self.run].tensor, vector)
 
                 # Scale the vector.
                 vector = vector * scale