r4648 - /branches/consistency_tests_1.3/sample_scripts/full_analysis.py -- January 11, 2008 - 17:30

Author: semor
Date: Fri Jan 11 17:30:52 2008
New Revision: 4648

URL: http://svn.gna.org/viewcvs/relax?rev=4648&view=rev
Log:
Manually ported r4617 from the 1.2 line.

This allows one to use no PDB file with the full_analysis.py script.

The command used was:
svn merge -r4616:4617 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=4648&r1=4647&r2=4648&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 
17:30:52 2008
@@ -104,7 +104,7 @@
 # The type of heteronucleus.
 HETNUC = 'N'
 
-# The PDB file.
+# The PDB file (set this to None if no structure is available).
 PDB_FILE = '1f3y.pdb'
 
 # The file containing the sequence.
@@ -192,9 +192,15 @@
                     # Remove the tm parameter.
                     model_free.remove_tm(run=name)
 
+<<<<<<< .working
                     # Load the PDB file and calculate the unit vectors 
parallel to the XH bond.
                     structure.read_pdb(name, PDB_FILE)
                     structure.vectors(name, heteronuc='N', proton='H')
+=======
+                    # Load the PDB file.
+                    if PDB_FILE:
+                        pdb(name, PDB_FILE)
+>>>>>>> .merge-right.r4617
 
                     # Add an arbitrary diffusion tensor which will be 
optimised.
                     if DIFF_MODEL == 'sphere':
@@ -553,7 +559,7 @@
             sequence.read(name, SEQUENCE)
 
             # Load the PDB file and calculate the unit vectors parallel to 
the XH bond.
-            if not local_tm:
+            if not local_tm and PDB_FILE:
                 structure.read_pdb(name, PDB_FILE)
                 structure.vectors(name, heteronuc='N', proton='H')