mailr7220 - /1.3/generic_fns/structure/geometric.py


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Posted by edward on August 21, 2008 - 18:00:
Author: bugman
Date: Thu Aug 21 18:00:28 2008
New Revision: 7220

URL: http://svn.gna.org/viewcvs/relax?rev=7220&view=rev
Log:
Atom number fixes for the cone_edge() function.


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=7220&r1=7219&r2=7220&view=diff
==============================================================================
--- 1.3/generic_fns/structure/geometric.py (original)
+++ 1.3/generic_fns/structure/geometric.py Thu Aug 21 18:00:28 2008
@@ -95,10 +95,9 @@
     # Add an atom for the cone apex.
     structure.atom_add(pdb_record='HETATM', atom_num=atom_num, 
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.
+    # Initialise the rotation matrix.
     if R == None:
         R = eye(3)
-    atom_num = 1
 
     # Get the rotation matrix.
     if axis != None:
@@ -148,9 +147,6 @@
 
         # Join the atom to the cone apex.
         #structure.atom_connect(index1=atom_id, index2='Apex')
-
-        # Increment the atom number.
-        atom_num = atom_num + 1
 
 
 def create_diff_tensor_pdb(scale=1.8e-6, file=None, dir=None, force=False):




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