r6838 - /1.3/generic_fns/structure/geometric.py -- July 08, 2008 - 20:51

Author: semor
Date: Tue Jul  8 20:25:14 2008
New Revision: 6838

URL: http://svn.gna.org/viewcvs/relax?rev=6838&view=rev
Log:
Changes some calls to R to calls to CoM.

A discussion on this topic is available at:
https://mail.gna.org/public/relax-devel/2008-07/msg00024.html (message ID:
48736C7F.5040304@xxxxxxxxx)


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=6838&r1=6837&r2=6838&view=diff
==============================================================================
--- 1.3/generic_fns/structure/geometric.py (original)
+++ 1.3/generic_fns/structure/geometric.py Tue Jul  8 20:25:14 2008
@@ -260,7 +260,7 @@
                 sim_vectors = None
                 
             # Generate the axes representation.
-            res_num = generate_vector_residues(structure=structure, 
vector=pipe.diff_tensor.Dpar*pipe.diff_tensor.Dpar_unit, atom_name='Dpar', 
res_name_vect='AXS', sim_vectors=sim_vectors, chain_id=chain_id, 
res_num=res_num, origin=R, scale=scale, neg=True)
+            res_num = generate_vector_residues(structure=structure, 
vector=pipe.diff_tensor.Dpar*pipe.diff_tensor.Dpar_unit, atom_name='Dpar', 
res_name_vect='AXS', sim_vectors=sim_vectors, chain_id=chain_id, 
res_num=res_num, origin=CoM, scale=scale, neg=True)
 
 
         # Create the three axes of the ellipsoid.
@@ -280,9 +280,9 @@
                 sim_Dz_vectors = None
                 
             # Generate the axes representation.
-            res_num = generate_vector_residues(structure=structure, 
vector=pipe.diff_tensor.Dx*pipe.diff_tensor.Dx_unit, atom_name='Dpar', 
res_name_vect='AXS', sim_vectors=sim_Dx_vectors, chain_id=chain_id, 
res_num=res_num, origin=R, scale=scale, neg=True)
-            res_num = generate_vector_residues(structure=structure, 
vector=pipe.diff_tensor.Dy*pipe.diff_tensor.Dy_unit, atom_name='Dpar', 
res_name_vect='AXS', sim_vectors=sim_Dy_vectors, chain_id=chain_id, 
res_num=res_num, origin=R, scale=scale, neg=True)
-            res_num = generate_vector_residues(structure=structure, 
vector=pipe.diff_tensor.Dz*pipe.diff_tensor.Dz_unit, atom_name='Dpar', 
res_name_vect='AXS', sim_vectors=sim_Dz_vectors, chain_id=chain_id, 
res_num=res_num, origin=R, scale=scale, neg=True)
+            res_num = generate_vector_residues(structure=structure, 
vector=pipe.diff_tensor.Dx*pipe.diff_tensor.Dx_unit, atom_name='Dpar', 
res_name_vect='AXS', sim_vectors=sim_Dx_vectors, chain_id=chain_id, 
res_num=res_num, origin=CoM, scale=scale, neg=True)
+            res_num = generate_vector_residues(structure=structure, 
vector=pipe.diff_tensor.Dy*pipe.diff_tensor.Dy_unit, atom_name='Dpar', 
res_name_vect='AXS', sim_vectors=sim_Dy_vectors, chain_id=chain_id, 
res_num=res_num, origin=CoM, scale=scale, neg=True)
+            res_num = generate_vector_residues(structure=structure, 
vector=pipe.diff_tensor.Dz*pipe.diff_tensor.Dz_unit, atom_name='Dpar', 
res_name_vect='AXS', sim_vectors=sim_Dz_vectors, chain_id=chain_id, 
res_num=res_num, origin=CoM, scale=scale, neg=True)
 
 
     # Create the PDB file.