r8782 - /1.3/test_suite/system_tests/scripts/align_fit.py -- February 11, 2009 - 17:03

Author: bugman
Date: Wed Feb 11 17:03:39 2009
New Revision: 8782

URL: http://svn.gna.org/viewcvs/relax?rev=8782&view=rev
Log:
The paramagnetic centre is now set.


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

Modified: 1.3/test_suite/system_tests/scripts/align_fit.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/align_fit.py?rev=8782&r1=8781&r2=8782&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/scripts/align_fit.py (original)
+++ 1.3/test_suite/system_tests/scripts/align_fit.py Wed Feb 11 17:03:39 2009
@@ -29,6 +29,9 @@
 rdc.read(id='synth', file='synth_rdc', dir=DATA_PATH, mol_name_col=0, 
res_num_col=1, res_name_col=2, spin_num_col=3, spin_name_col=4, data_col=5)
 pcs.read(id='synth', file='synth_pcs', dir=DATA_PATH, mol_name_col=0, 
res_num_col=1, res_name_col=2, spin_num_col=3, spin_name_col=4, data_col=5)
 
+# Set the paramagnetic centre.
+pcs.centre(atom_id=':1001@CA')
+
 # The temperature.
 temperature(id='synth', temp=303)