r4649 - /branches/consistency_tests_1.3/sample_scripts/full_analysis.py -- January 11, 2008 - 17:33

Author: semor
Date: Fri Jan 11 17:33:51 2008
New Revision: 4649

URL: http://svn.gna.org/viewcvs/relax?rev=4649&view=rev
Log:
Manually ported r4619 and r4620 from the 1.2 line.

This allows one to specify no file for unresolved residues with the 
full_analysis.py script.

The command used was:
svn merge -r4618:4620 svn+ssh://semor@xxxxxxxxxxx/svn/relax/1.2


Modified:
    branches/consistency_tests_1.3/sample_scripts/full_analysis.py

Modified: branches/consistency_tests_1.3/sample_scripts/full_analysis.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/consistency_tests_1.3/sample_scripts/full_analysis.py?rev=4649&r1=4648&r2=4649&view=diff
==============================================================================
--- branches/consistency_tests_1.3/sample_scripts/full_analysis.py (original)
+++ branches/consistency_tests_1.3/sample_scripts/full_analysis.py Fri Jan 11 
17:33:51 2008
@@ -120,7 +120,7 @@
               ['NOE', '500', 500.208 * 1e6, 'noe.500.out']
 ]
 
-# The file containing the list of unresolved residues to exclude from the 
analysis.
+# The file containing the list of unresolved residues to exclude from the 
analysis (set this to None if no residue is to be excluded).
 UNRES = 'unresolved'
 
 # The bond length and CSA values.
@@ -568,7 +568,8 @@
                 relax_data.read(name, data[0], data[1], data[2], data[3])
 
             # Unselect unresolved residues.
-            unselect.read(name, file=UNRES)
+            if UNRES:
+                unselect.read(name, file=UNRES)
 
             # Copy the diffusion tensor from the run 'opt' and prevent it 
from being minimised.
             if not local_tm: