Author: bugman Date: Wed Aug 20 20:42:37 2008 New Revision: 7214 URL: http://svn.gna.org/viewcvs/relax?rev=7214&view=rev Log: The structural data structure for the cone is now properly initialised. 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=7214&r1=7213&r2=7214&view=diff ============================================================================== --- 1.3/specific_fns/n_state_model.py (original) +++ 1.3/specific_fns/n_state_model.py Wed Aug 20 20:42:37 2008 @@ -32,7 +32,7 @@ import generic_fns import generic_fns.structure.geometric import generic_fns.structure.mass -from generic_fns.structure.internal import Internal +from generic_fns.structure.internal import Internal, Structure_container from maths_fns.n_state_model import N_state_opt from maths_fns.rotation_matrix import R_2vect, R_euler_zyz from minfx.generic import generic_minimise @@ -221,6 +221,9 @@ # Create the structural object. structure = Internal() + + # Add a structure. + structure.structural_data.append(Structure_container()) # Add the pivot point. structure.atom_add(pdb_record='HETATM', atom_name='R', res_name='PIV', res_num=1, pos=cdp.pivot_point, element='C')