mailr8730 - /1.3/generic_fns/structure/scientific.py


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

Header


Content

Posted by edward on February 04, 2009 - 17:22:
Author: bugman
Date: Wed Feb  4 17:22:01 2009
New Revision: 8730

URL: http://svn.gna.org/viewcvs/relax?rev=8730&view=rev
Log:
Another fix for the load_pdb() method.

The mol_offset value should be calculated at all times!


Modified:
    1.3/generic_fns/structure/scientific.py

Modified: 1.3/generic_fns/structure/scientific.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/scientific.py?rev=8730&r1=8729&r2=8730&view=diff
==============================================================================
--- 1.3/generic_fns/structure/scientific.py (original)
+++ 1.3/generic_fns/structure/scientific.py Wed Feb  4 17:22:01 2009
@@ -569,16 +569,12 @@
             mol_index = 0
             new_mol_name = []
 
-            # Set the target molecule number offset.
-            if set_mol_name:
-                mol_offset = [set_mol_name[mol_index]]
-            else:
-                # Number of structures already present for the model.
-                mol_offset = 0
-                for i in range(len(self.structural_data)):
-                    model_index = model_load_num - 1
-                    if not set_model_num or (model_index <= 
len(set_model_num) and set_model_num[model_index] == 
self.structural_data[i].num):
-                        mol_offset = len(self.structural_data[i].mol)
+            # Set the target molecule number offset (if molecules already 
exist).
+            mol_offset = 0
+            for i in range(len(self.structural_data)):
+                model_index = model_load_num - 1
+                if not set_model_num or (model_index <= len(set_model_num) 
and set_model_num[model_index] == self.structural_data[i].num):
+                    mol_offset = len(self.structural_data[i].mol)
 
             # Store the original model number.
             orig_model_num.append(model_num)




Related Messages


Powered by MHonArc, Updated Wed Feb 04 17:40:01 2009