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__________________________________________________________')
_______________________________________________
relax (http://nmr-relax.com)
This is the relax-commits mailing list
relax-commits@xxxxxxx
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-commits