r4622 - in /1.3: ./ sample_scripts/full_analysis.py -- January 11, 2008 - 04:43

Author: semor
Date: Fri Jan 11 04:43:05 2008
New Revision: 4622

URL: http://svn.gna.org/viewcvs/relax?rev=4622&view=rev
Log:
Merged revisions 4619-4620 via svnmerge from 
svn+ssh://semor@xxxxxxxxxxx/svn/relax/1.2

........
  r4619 | semor | 2008-01-10 16:38:09 -0500 (Thu, 10 Jan 2008) | 7 lines
  
  Modified the full_analysis.py script so it can handle cases when no 
residues need to be excluded.
  
  This change was proposed in a post at:
  https://mail.gna.org/public/relax-users/2008-01/msg00008.html (Message-id:
  <47868730.1030205@xxxxxxxxx>)
........
  r4620 | semor | 2008-01-10 16:43:29 -0500 (Thu, 10 Jan 2008) | 6 lines
  
  Corrected a mistake.
  
  The inverse of what was wanted was produced concerning the possibility of 
not giving a file for
  unresolved residues.
........

Modified:
    1.3/   (props changed)
    1.3/sample_scripts/full_analysis.py

Propchange: 1.3/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Fri Jan 11 04:43:05 2008
@@ -1,1 +1,1 @@
-/1.2:1-2505
+/1.2:1-2505,4619-4620

Modified: 1.3/sample_scripts/full_analysis.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/full_analysis.py?rev=4622&r1=4621&r2=4622&view=diff
==============================================================================
--- 1.3/sample_scripts/full_analysis.py (original)
+++ 1.3/sample_scripts/full_analysis.py Fri Jan 11 04:43:05 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.
@@ -563,7 +563,8 @@
                 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: