r6829 - /1.3/sample_scripts/full_analysis.py -- July 08, 2008 - 02:38

Author: bugman
Date: Tue Jul  8 02:38:34 2008
New Revision: 6829

URL: http://svn.gna.org/viewcvs/relax?rev=6829&view=rev
Log:
Fixed the calls to the structure.vectors() user function.


Modified:
    1.3/sample_scripts/full_analysis.py

Modified: 1.3/sample_scripts/full_analysis.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/full_analysis.py?rev=6829&r1=6828&r2=6829&view=diff
==============================================================================
--- 1.3/sample_scripts/full_analysis.py (original)
+++ 1.3/sample_scripts/full_analysis.py Tue Jul  8 02:38:34 2008
@@ -227,7 +227,7 @@
                     # Load the PDB file and calculate the unit vectors 
parallel to the XH bond.
                     if PDB_FILE:
                         structure.read_pdb(PDB_FILE)
-                        structure.vectors(heteronuc='N', proton='H')
+                        structure.vectors(attached='H')
 
                     # Add an arbitrary diffusion tensor which will be 
optimised.
                     if DIFF_MODEL == 'sphere':
@@ -597,7 +597,7 @@
             # Load the PDB file and calculate the unit vectors parallel to 
the XH bond.
             if not local_tm and PDB_FILE:
                 structure.read_pdb(PDB_FILE)
-                structure.vectors(heteronuc='N', proton='H')
+                structure.vectors(attached='H')
 
             # Load the relaxation data.
             for data in RELAX_DATA: