mailr12476 - /branches/bmrb/generic_fns/bmrb.py


Others Months | Index by Date | Thread Index
>>   [Date Prev] [Date Next] [Thread Prev] [Thread Next]

Header


Content

Posted by edward on January 31, 2011 - 19:39:
Author: bugman
Date: Mon Jan 31 19:39:54 2011
New Revision: 12476

URL: http://svn.gna.org/viewcvs/relax?rev=12476&view=rev
Log:
The BMRB generate_sequence() function can now handle if no molecule name is 
given.


Modified:
    branches/bmrb/generic_fns/bmrb.py

Modified: branches/bmrb/generic_fns/bmrb.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/bmrb.py?rev=12476&r1=12475&r2=12476&view=diff
==============================================================================
--- branches/bmrb/generic_fns/bmrb.py (original)
+++ branches/bmrb/generic_fns/bmrb.py Mon Jan 31 19:39:54 2011
@@ -83,8 +83,14 @@
         if spin:
             continue
 
+        # The residue container.
+        if not mol_names:
+            res_id = generate_spin_id(res_num=res_nums[i], 
res_name=res_names[i])
+        else:
+            res_id = generate_spin_id(mol_name=mol_names[i], 
res_num=res_nums[i], res_name=res_names[i])
+
         # The spin container needs to be named.
-        res_cont = return_residue(generate_spin_id(mol_name=mol_names[i], 
res_num=res_nums[i], res_name=res_names[i]))
+        res_cont = return_residue(res_id)
         if res_cont and len(res_cont.spin) == 1 and res_cont.spin[0].name == 
None and res_cont.spin[0].num == None:
             # Name and number the spin.
             res_cont.spin[0].name = spin_names[i]




Related Messages


Powered by MHonArc, Updated Mon Jan 31 20:00:02 2011