r7665 - /1.3/test_suite/system_tests/scripts/palmer.py -- October 12, 2008 - 18:46

Author: bugman
Date: Sun Oct 12 18:46:27 2008
New Revision: 7665

URL: http://svn.gna.org/viewcvs/relax?rev=7665&view=rev
Log:
Modified the Modelfree4 system test to use a PDB file and spheroid diffusion 
tensor.


Modified:
    1.3/test_suite/system_tests/scripts/palmer.py

Modified: 1.3/test_suite/system_tests/scripts/palmer.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/palmer.py?rev=7665&r1=7664&r2=7665&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/scripts/palmer.py (original)
+++ 1.3/test_suite/system_tests/scripts/palmer.py Sun Oct 12 18:46:27 2008
@@ -27,13 +27,16 @@
         # Load the sequence.
         sequence.read(sys.path[-1] + 
'/test_suite/shared_data/jw_mapping/noe.dat')
 
+        # Read a PDB file.
+        structure.read_pdb(file='Ap4Aase_res1-12.pdb', dir=sys.path[-1] + 
'/test_suite/shared_data/structures', model=1)
+
         # Load the relaxation data.
         relax_data.read('R1', '600', 600.0 * 1e6, sys.path[-1] + 
'/test_suite/shared_data/jw_mapping/R1.dat')
         relax_data.read('R2', '600', 600.0 * 1e6, sys.path[-1] + 
'/test_suite/shared_data/jw_mapping/R2.dat')
         relax_data.read('NOE', '600', 600.0 * 1e6, sys.path[-1] + 
'/test_suite/shared_data/jw_mapping/noe.dat')
 
         # Setup other values.
-        diffusion_tensor.init(1e-8)
+        diffusion_tensor.init((1e-8, 0, 0, 0))
         value.set('15N', 'heteronucleus')
         value.set(1.02 * 1e-10, 'bond_length')
         value.set(-172 * 1e-6, 'csa')