r12077 - /branches/bmrb/specific_fns/model_free/bmrb.py -- December 31, 2010 - 15:09

Author: bugman
Date: Fri Dec 31 15:09:33 2010
New Revision: 12077

URL: http://svn.gna.org/viewcvs/relax?rev=12077&view=rev
Log:
The bond length is now placed in the temporary tag Model_free.Val_bond_length 
in the BMRB file.


Modified:
    branches/bmrb/specific_fns/model_free/bmrb.py

Modified: branches/bmrb/specific_fns/model_free/bmrb.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/specific_fns/model_free/bmrb.py?rev=12077&r1=12076&r2=12077&view=diff
==============================================================================
--- branches/bmrb/specific_fns/model_free/bmrb.py (original)
+++ branches/bmrb/specific_fns/model_free/bmrb.py Fri Dec 31 15:09:33 2010
@@ -397,7 +397,7 @@
                 software_id = software_ids[i]
 
         # Generate the model-free data saveframe.
-        star.model_free.add(global_chi2=global_chi2, 
software_ids=[software_id], software_labels=['relax'], entity_ids=entity_ids, 
res_nums=res_num_list, res_names=res_name_list, atom_names=atom_name_list, 
atom_types=element_list, isotope=isotope_list, local_tc=local_tm_list, 
s2=s2_list, s2f=s2f_list, s2s=s2s_list, te=te_list, tf=tf_list, ts=ts_list, 
rex=rex_list, local_tc_err=local_tm_err_list, s2_err=s2_err_list, 
s2f_err=s2f_err_list, s2s_err=s2s_err_list, te_err=te_err_list, 
tf_err=tf_err_list, ts_err=ts_err_list, rex_err=rex_err_list, 
rex_frq=rex_frq, chi2=chi2_list, model_fit=model_list)
+        star.model_free.add(global_chi2=global_chi2, 
software_ids=[software_id], software_labels=['relax'], entity_ids=entity_ids, 
res_nums=res_num_list, res_names=res_name_list, atom_names=atom_name_list, 
atom_types=element_list, isotope=isotope_list, bond_length=r_list, 
local_tc=local_tm_list, s2=s2_list, s2f=s2f_list, s2s=s2s_list, te=te_list, 
tf=tf_list, ts=ts_list, rex=rex_list, local_tc_err=local_tm_err_list, 
s2_err=s2_err_list, s2f_err=s2f_err_list, s2s_err=s2s_err_list, 
te_err=te_err_list, tf_err=tf_err_list, ts_err=ts_err_list, 
rex_err=rex_err_list, rex_frq=rex_frq, chi2=chi2_list, model_fit=model_list)
 
 
         # Create Supergroup 8 : The structure determination saveframes.