mailr7212 - /1.3/generic_fns/structure/geometric.py


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Posted by edward on August 20, 2008 - 21:18:
Author: bugman
Date: Wed Aug 20 20:27:46 2008
New Revision: 7212

URL: http://svn.gna.org/viewcvs/relax?rev=7212&view=rev
Log:
Fixed some more calls to the structural method atom_add().


Modified:
    1.3/generic_fns/structure/geometric.py

Modified: 1.3/generic_fns/structure/geometric.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/geometric.py?rev=7212&r1=7211&r2=7212&view=diff
==============================================================================
--- 1.3/generic_fns/structure/geometric.py (original)
+++ 1.3/generic_fns/structure/geometric.py Wed Aug 20 20:27:46 2008
@@ -90,7 +90,7 @@
     """
 
     # Add an atom for the cone apex.
-    structure.atom_add(pdb_record='HETATM', atom_num=apex, atom_name='APX', 
res_name=res_name_vect, chain_id=chain_id, res_num=res_num, pos=apex, 
segment_id=None, element='H', struct_index=None)
+    structure.atom_add(pdb_record='HETATM', atom_num=apex, atom_name='APX', 
res_name=res_name, res_num=res_num, pos=apex, segment_id=None, element='H', 
struct_index=None)
 
     # Initialise the rotation matrix, atom number, etc.
     if R == None:
@@ -128,7 +128,7 @@
         pos = apex+vector*length
 
         # Add the vector as a H atom of the cone residue.
-        structure.atom_add(pdb_record='HETATM', atom_num=atom_id, 
atom_name='H'+`atom_num`, res_name=res_name, chain_id=chain_id, 
res_num=res_num, pos=pos, segment_id=None, element='H', struct_index=None)
+        structure.atom_add(pdb_record='HETATM', atom_num=atom_id, 
atom_name='H'+`atom_num`, res_name=res_name, res_num=res_num, pos=pos, 
segment_id=None, element='H', struct_index=None)
 
         # Connect across the radial array (to generate the circular cone 
edge).
         if i != 0:




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