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')