r11264 - /branches/bmrb/specific_fns/model_free/bmrb.py -- June 29, 2010 - 23:16

Author: bugman
Date: Tue Jun 29 23:16:35 2010
New Revision: 11264

URL: http://svn.gna.org/viewcvs/relax?rev=11264&view=rev
Log:
Started to create the diffusion tensor saveframe.


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=11264&r1=11263&r2=11264&view=diff
==============================================================================
--- branches/bmrb/specific_fns/model_free/bmrb.py (original)
+++ branches/bmrb/specific_fns/model_free/bmrb.py Tue Jun 29 23:16:35 2010
@@ -33,7 +33,7 @@
     from bmrblib.nmr_star_dict import NMR_STAR
     from bmrblib.nmr_star_dict_v3_1 import NMR_STAR_v3_1
     from bmrblib.nmr_star_dict_v3_2 import NMR_STAR_v3_2
-from generic_fns import exp_info, mol_res_spin, pipes, relax_data
+from generic_fns import diffusion_tensor, exp_info, mol_res_spin, pipes, 
relax_data
 from generic_fns.mol_res_spin import get_molecule_names, spin_loop
 from relax_errors import RelaxError
 
@@ -286,5 +286,12 @@
         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)
 
 
+        # Create Supergroup 8 : The structure determination saveframes.
+        ###############################################################
+
+        # Generate the diffusion tensor saveframes.
+        diffusion_tensor.bmrb_write(star)
+
+
         # Write the contents to the STAR formatted file.
         star.write()