r11533 - /1.3/specific_fns/frame_order.py -- August 18, 2010 - 16:01

Author: bugman
Date: Wed Aug 18 16:01:10 2010
New Revision: 11533

URL: http://svn.gna.org/viewcvs/relax?rev=11533&view=rev
Log:
The negative cones and z-axes are now not created for the pseudo-ellipses in 
frame_order.cone_pdb().


Modified:
    1.3/specific_fns/frame_order.py

Modified: 1.3/specific_fns/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/frame_order.py?rev=11533&r1=11532&r2=11533&view=diff
==============================================================================
--- 1.3/specific_fns/frame_order.py (original)
+++ 1.3/specific_fns/frame_order.py Wed Aug 18 16:01:10 2010
@@ -240,7 +240,10 @@
         # Generate the axis vectors.
         print("\nGenerating the axis vectors.")
         res_num = generate_vector_residues(mol=mol, vector=axis_pos, 
atom_name='z-ax', res_name_vect='ZAX', sim_vectors=axis_sim_pos, res_num=2, 
origin=cdp.pivot, scale=size)
-        res_num = generate_vector_residues(mol=mol, vector=axis_neg, 
atom_name='z-ax', res_name_vect='ZAX', sim_vectors=axis_sim_neg, 
res_num=res_num+1, origin=cdp.pivot, scale=size)
+
+        # The negative.
+        if cdp.model not in ['pseudo-ellipse', 'pseudo-ellipse, 
torsionless', 'pseudo-ellipse, free rotor']:
+            res_num = generate_vector_residues(mol=mol, vector=axis_neg, 
atom_name='z-ax', res_name_vect='ZAX', sim_vectors=axis_sim_neg, 
res_num=res_num+1, origin=cdp.pivot, scale=size)
 
 
         # The x and y axes.
@@ -315,7 +318,10 @@
 
             # Create the positive and negative cones.
             create_cone_pdb(mol=mol, cone=cone, start_res=mol.res_num[-1]+1, 
apex=cdp.pivot, R=R_pos, inc=inc, distribution='regular')
-            create_cone_pdb(mol=mol, cone=cone, start_res=mol.res_num[-1]+1, 
apex=cdp.pivot, R=R_neg, inc=inc, distribution='regular')
+
+            # The negative.
+            if cdp.model not in ['pseudo-ellipse', 'pseudo-ellipse, 
torsionless', 'pseudo-ellipse, free rotor']:
+                create_cone_pdb(mol=mol, cone=cone, 
start_res=mol.res_num[-1]+1, apex=cdp.pivot, R=R_neg, inc=inc, 
distribution='regular')
 
 
         # Create the PDB file.