r12830 - /1.3/sample_scripts/model_free/final_data_extraction.py -- May 30, 2011 - 04:38

Author: michaelbieri
Date: Mon May 30 04:38:17 2011
New Revision: 12830

URL: http://svn.gna.org/viewcvs/relax?rev=12830&view=rev
Log:
If no diffusion tensor is present, creation of diffusion pdb will be skipped.

Modified:
    1.3/sample_scripts/model_free/final_data_extraction.py

Modified: 1.3/sample_scripts/model_free/final_data_extraction.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/model_free/final_data_extraction.py?rev=12830&r1=12829&r2=12830&view=diff
==============================================================================
--- 1.3/sample_scripts/model_free/final_data_extraction.py (original)
+++ 1.3/sample_scripts/model_free/final_data_extraction.py Mon May 30 
04:38:17 2011
@@ -15,6 +15,7 @@
 # relax module imports.
 from generic_fns.mol_res_spin import spin_loop
 from generic_fns import pipes
+from relax_errors import RelaxError
 
 
 
@@ -131,16 +132,6 @@
 grace.write(x_data_type='spin', y_data_type='csa', file='csa.agr', 
force=True)
 grace.write(x_data_type='te', y_data_type='s2', file='s2-te.agr', force=True)
 
-##################################################################################################
-
-#Create Diffusion Tensor
-
-# Display the diffusion tensor.
-diffusion_tensor.display()
-
-# Create the tensor PDB file.
-tensor_file = 'tensor.pdb'
-structure.create_diff_tensor_pdb(file=tensor_file, force=True)
 
 
##################################################################################################
 
@@ -244,6 +235,24 @@
 file.close()
 
 
+##################################################################################################
+
+#Create Diffusion Tensor
+
+# Try to read the diffusion tensor.
+try:
+    # Display the diffusion tensor.
+    diffusion_tensor.display()
+
+    # Create the tensor PDB file.
+    tensor_file = 'tensor.pdb'
+    structure.create_diff_tensor_pdb(file=tensor_file, force=True)
+
+# No diffusion in model (local tm model)
+except:
+    print "No diffusion tensor found."
+
+
 
 
##################################################################################################