Author: bugman Date: Thu Feb 21 10:31:31 2008 New Revision: 5088 URL: http://svn.gna.org/viewcvs/relax?rev=5088&view=rev Log: Merged revisions 5087 via svnmerge from svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3 ........ r5087 | bugman | 2008-02-21 10:30:40 +0100 (Thu, 21 Feb 2008) | 3 lines In cone_edge(), added an atom for the apex of the cone and joined all other atoms to it. ........ Modified: branches/N_state_model/ (props changed) branches/N_state_model/generic_fns/structure.py Propchange: branches/N_state_model/ ------------------------------------------------------------------------------ Binary property 'svnmerge-integrated' - no diff available. Modified: branches/N_state_model/generic_fns/structure.py URL: http://svn.gna.org/viewcvs/relax/branches/N_state_model/generic_fns/structure.py?rev=5088&r1=5087&r2=5088&view=diff ============================================================================== --- branches/N_state_model/generic_fns/structure.py (original) +++ branches/N_state_model/generic_fns/structure.py Thu Feb 21 10:31:31 2008 @@ -329,6 +329,9 @@ @type inc: int """ + # Add an atom for the cone apex. + atom_add(atomic_data=atomic_data, atom_id='Apex', record_name='HETATM', atom_name='APX', res_name='CON', res_num=res_num, pos=apex, element='H') + # Initialise the rotation matrix, atom number, etc. R = zeros((3,3), float64) atom_num = 1 @@ -374,6 +377,9 @@ if i == inc-1: neighbour_id = 'T' + `0` atom_connect(atomic_data=atomic_data, atom_id=atom_id, bonded_id=neighbour_id) + + # Join the atom to the cone apex. + atom_connect(atomic_data=atomic_data, atom_id=atom_id, bonded_id='Apex') # Increment the atom number. atom_num = atom_num + 1