r2915 - /1.3/sample_scripts/diff_tensor_pdb.py -- December 07, 2006 - 01:29

Author: bugman
Date: Thu Dec  7 01:28:29 2006
New Revision: 2915

URL: http://svn.gna.org/viewcvs/relax?rev=2915&view=rev
Log:
Fixes for the script for creating the PDB representation of the diffusion 
tensor.


Modified:
    1.3/sample_scripts/diff_tensor_pdb.py

Modified: 1.3/sample_scripts/diff_tensor_pdb.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/diff_tensor_pdb.py?rev=2915&r1=2914&r2=2915&view=diff
==============================================================================
--- 1.3/sample_scripts/diff_tensor_pdb.py (original)
+++ 1.3/sample_scripts/diff_tensor_pdb.py Thu Dec  7 01:28:29 2006
@@ -1,3 +1,5 @@
+# Script for creating a PDB representation of the Brownian rotational 
diffusion tensor.
+
 # Create the run.
 name = 'sims'
 run.create(name, 'mf')
@@ -10,7 +12,7 @@
 
 # Create the tensor PDB file.
 tensor_file = 'tensor.pdb'
-pdb.create_tensor_pdb(name, file='tensor.pdb', force=1)
+structure.create_tensor_pdb(name, file=tensor_file, force=1)
 
 # PyMOL.
 pymol.view(name)