r5087 - /1.3/generic_fns/structure.py -- February 21, 2008 - 10:48

Author: bugman
Date: Thu Feb 21 10:30:40 2008
New Revision: 5087

URL: http://svn.gna.org/viewcvs/relax?rev=5087&view=rev
Log:
In cone_edge(), added an atom for the apex of the cone and joined all other 
atoms to it.


Modified:
    1.3/generic_fns/structure.py

Modified: 1.3/generic_fns/structure.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure.py?rev=5087&r1=5086&r2=5087&view=diff
==============================================================================
--- 1.3/generic_fns/structure.py (original)
+++ 1.3/generic_fns/structure.py Thu Feb 21 10:30:40 2008
@@ -329,6 +329,9 @@
     @type inc:              int
     """
 
+    # Add an atom for the cone apex.
+    atom_add(atomic_data=atomic_data, atom_id='Apex', record_name='HETATM', 
atom_name='APX', res_name='CON', res_num=res_num, pos=apex, element='H')
+
     # Initialise the rotation matrix, atom number, etc.
     R = zeros((3,3), float64)
     atom_num = 1
@@ -374,6 +377,9 @@
         if i == inc-1:
             neighbour_id = 'T' + `0`
             atom_connect(atomic_data=atomic_data, atom_id=atom_id, 
bonded_id=neighbour_id)
+
+        # Join the atom to the cone apex.
+        atom_connect(atomic_data=atomic_data, atom_id=atom_id, 
bonded_id='Apex')
 
         # Increment the atom number.
         atom_num = atom_num + 1