mailr7440 - /1.3/specific_fns/n_state_model.py


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Posted by edward on September 29, 2008 - 23:01:
Author: bugman
Date: Mon Sep 29 23:01:06 2008
New Revision: 7440

URL: http://svn.gna.org/viewcvs/relax?rev=7440&view=rev
Log:
Bug fix for the creation of the cone geometric object for the N-state model 
analysis.


Modified:
    1.3/specific_fns/n_state_model.py

Modified: 1.3/specific_fns/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/n_state_model.py?rev=7440&r1=7439&r2=7440&view=diff
==============================================================================
--- 1.3/specific_fns/n_state_model.py (original)
+++ 1.3/specific_fns/n_state_model.py Mon Sep 29 23:01:06 2008
@@ -38,7 +38,7 @@
 import generic_fns.structure.geometric
 import generic_fns.structure.mass
 from generic_fns.mol_res_spin import spin_loop
-from generic_fns.structure.internal import Internal, Structure_container
+from generic_fns.structure.internal import Internal
 from maths_fns.n_state_model import N_state_opt
 from maths_fns.rotation_matrix import R_2vect, R_euler_zyz
 from physical_constants import dipolar_constant, g1H, pcs_constant, 
return_gyromagnetic_ratio
@@ -1003,7 +1003,7 @@
         structure = Internal()
 
         # Add a structure.
-        structure.structural_data.append(Structure_container())
+        structure.add_struct(name='cone')
 
         # Add the pivot point.
         structure.atom_add(pdb_record='HETATM', atom_num=1, atom_name='R', 
res_name='PIV', res_num=1, pos=cdp.pivot_point, element='C')




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