r4617 - /1.2/sample_scripts/full_analysis.py -- January 10, 2008 - 21:37

Author: bugman
Date: Thu Jan 10 21:37:22 2008
New Revision: 4617

URL: http://svn.gna.org/viewcvs/relax?rev=4617&view=rev
Log:
Modified the full_analysis.py script to be usable when no structure is 
available.

This is in response to Sebastien's post at
https://mail.gna.org/public/relax-users/2008-01/msg00006.html.


Modified:
    1.2/sample_scripts/full_analysis.py

Modified: 1.2/sample_scripts/full_analysis.py
URL: 
http://svn.gna.org/viewcvs/relax/1.2/sample_scripts/full_analysis.py?rev=4617&r1=4616&r2=4617&view=diff
==============================================================================
--- 1.2/sample_scripts/full_analysis.py (original)
+++ 1.2/sample_scripts/full_analysis.py Thu Jan 10 21:37:22 2008
@@ -100,7 +100,7 @@
 # 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.
@@ -189,7 +189,8 @@
                     model_free.remove_tm(run=name)
 
                     # Load the PDB file.
-                    pdb(name, PDB_FILE)
+                    if PDB_FILE:
+                        pdb(name, PDB_FILE)
 
                     # Add an arbitrary diffusion tensor which will be 
optimised.
                     if DIFF_MODEL == 'sphere':
@@ -548,7 +549,7 @@
             sequence.read(name, SEQUENCE)
 
             # Load the PDB file.
-            if not local_tm:
+            if not local_tm and PDB_FILE:
                 pdb(name, PDB_FILE)
 
             # Load the relaxation data.