r14921 - /1.3/test_suite/system_tests/structure.py -- October 26, 2011 - 11:25

Author: bugman
Date: Wed Oct 26 11:25:07 2011
New Revision: 14921

URL: http://svn.gna.org/viewcvs/relax?rev=14921&view=rev
Log:
The Structure.test_superimpose_fit_to_first system test is now testing the 
backbone heavy atom fit.


Modified:
    1.3/test_suite/system_tests/structure.py

Modified: 1.3/test_suite/system_tests/structure.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/structure.py?rev=14921&r1=14920&r2=14921&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/structure.py (original)
+++ 1.3/test_suite/system_tests/structure.py Wed Oct 26 11:25:07 2011
@@ -789,8 +789,8 @@
         self.interpreter.structure.read_pdb('1J7P_1st_NH.pdb', dir=path, 
set_model_num=1, set_mol_name='CaM')
         self.interpreter.structure.read_pdb('1J7P_1st_NH_rot.pdb', dir=path, 
set_model_num=2, set_mol_name='CaM')
 
-        # Superimpose.
-        self.interpreter.structure.superimpose(models=[1, 2], method='fit to 
first')
+        # Superimpose the backbone heavy atoms.
+        self.interpreter.structure.superimpose(models=[1, 2], method='fit to 
first', atom_id='@N,C,CA,O')
 
         # Check that the two structures now have the same atomic coordinates.
         model1 = cdp.structure.structural_data[0].mol[0]