mailr11536 - /branches/bieri_gui/gui_bieri/analyses/results_analysis.py


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Posted by michael . bieri on September 09, 2010 - 02:31:
Author: michaelbieri
Date: Thu Sep  9 02:31:48 2010
New Revision: 11536

URL: http://svn.gna.org/viewcvs/relax?rev=11536&view=rev
Log:
No diffusion tensor pdb file will be craetes in case local Tm model was 
selected.

Modified:
    branches/bieri_gui/gui_bieri/analyses/results_analysis.py

Modified: branches/bieri_gui/gui_bieri/analyses/results_analysis.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/gui_bieri/analyses/results_analysis.py?rev=11536&r1=11535&r2=11536&view=diff
==============================================================================
--- branches/bieri_gui/gui_bieri/analyses/results_analysis.py (original)
+++ branches/bieri_gui/gui_bieri/analyses/results_analysis.py Thu Sep  9 
02:31:48 2010
@@ -212,25 +212,29 @@
     
##################################################################################################
 
     #Create Diffusion Tensor
-
-    # Display the diffusion tensor.
-    interpreter.diffusion_tensor.display()
-
-    # Create the tensor PDB file.
-    tensor_file = 'tensor.pdb'
-    interpreter.structure.create_diff_tensor_pdb(file=tensor_file, 
dir=str(directory) + sep, force=True)
-
-    # create diffusion tensor macro
-    file = open(str(directory) + sep + 'diffusion_tensor.pml', 'w')
-    file.write('load ' + pdbfile + '\n')
-    file.write('color red, ss h\n')
-    file.write('color yellow, ss s\n')
-    file.write('color green, ss l+''\n')
-    file.write('set cartoon_discrete_colors, 1\n')
-    file.write('hide all\n')
-    file.write('show cartoon\n')
-    file.write('load ' + str(directory) + sep + 'tensor.pdb' + '\n')
-    file.close()
+    try:
+        # Display the diffusion tensor.
+        interpreter.diffusion_tensor.display()
+
+        # Create the tensor PDB file.
+        tensor_file = 'tensor.pdb'
+        interpreter.structure.create_diff_tensor_pdb(file=tensor_file, 
dir=str(directory) + sep, force=True)
+
+        # create diffusion tensor macro
+        file = open(str(directory) + sep + 'diffusion_tensor.pml', 'w')
+        file.write('load ' + pdbfile + '\n')
+        file.write('color red, ss h\n')
+        file.write('color yellow, ss s\n')
+        file.write('color green, ss l+''\n')
+        file.write('set cartoon_discrete_colors, 1\n')
+        file.write('hide all\n')
+        file.write('show cartoon\n')
+        file.write('load ' + str(directory) + sep + 'tensor.pdb' + '\n')
+        file.close()
+
+    # No diffusion tensor (local tm model was selected)
+    except:
+        print "\nModel without diffusion tensor was selected (local TM)!\nNo 
diffusion tensor was created!\n\n"
 
     
##################################################################################################
 




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