r11126 - /branches/bieri_gui/gui_bieri/analyses/auto_noe.py -- April 23, 2010 - 04:02

Author: michaelbieri
Date: Fri Apr 23 04:02:43 2010
New Revision: 11126

URL: http://svn.gna.org/viewcvs/relax?rev=11126&view=rev
Log:
Label of hetero nucleus and proton is set for noe calculation.

Modified:
    branches/bieri_gui/gui_bieri/analyses/auto_noe.py

Modified: branches/bieri_gui/gui_bieri/analyses/auto_noe.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/gui_bieri/analyses/auto_noe.py?rev=11126&r1=11125&r2=11126&view=diff
==============================================================================
--- branches/bieri_gui/gui_bieri/analyses/auto_noe.py (original)
+++ branches/bieri_gui/gui_bieri/analyses/auto_noe.py Fri Apr 23 04:02:43 2010
@@ -514,7 +514,7 @@
         data = self.assemble_data()
 
         # Execute.
-        NOE_calc(filename=data.filename, seq_args=data.seq_args, 
pipe_name='noe', noe_ref=data.ref_file, noe_ref_rmsd=data.ref_rmsd, 
noe_sat=data.sat_file, noe_sat_rmsd=data.sat_rmsd, 
unresolved=data.unresolved, pdb_file=data.structure_file, 
results_folder=data.save_dir, int_method='height', heteronuc = 'N', proton = 
'H')
+        NOE_calc(filename=data.filename, seq_args=data.seq_args, 
pipe_name='noe', noe_ref=data.ref_file, noe_ref_rmsd=data.ref_rmsd, 
noe_sat=data.sat_file, noe_sat_rmsd=data.sat_rmsd, 
unresolved=data.unresolved, pdb_file=data.structure_file, 
results_folder=data.save_dir, int_method='height', heteronuc = 
data.heteronuc, proton = data.proton)
 
         # Feedback about success.
         wx.CallAfter(self.gui.controller.log_panel.AppendText, 
'\n\n__________________________________________________________\n\nSuccessfully
 calculated NOE 
values\n__________________________________________________________')