Re: r6834 - /1.3/generic_fns/structure/geometric.py -- July 08, 2008 - 14:55

Hi,

With the fixes you've been making and the changes I made to the
structural object code, I think the diffusion tensor representation
should soon be functioning again.  Do you see any real technical
issues preventing this?  I hope my changes haven't caused you too many
problems.  They were necessary though, as the PDB reading and writing
code was broken.

Regards,

Edward


On Tue, Jul 8, 2008 at 6:42 AM,  <sebastien.morin.1@xxxxxxxxx> wrote:
> Author: semor
> Date: Tue Jul  8 06:42:46 2008
> New Revision: 6834
>
> URL: http://svn.gna.org/viewcvs/relax?rev=6834&view=rev
> Log:
> Corrected a typo introduced in r6815.
>
>
> Modified:
>    1.3/generic_fns/structure/geometric.py
>
> Modified: 1.3/generic_fns/structure/geometric.py
> URL: 
> http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/geometric.py?rev=6834&r1=6833&r2=6834&view=diff
> ==============================================================================
> --- 1.3/generic_fns/structure/geometric.py (original)
> +++ 1.3/generic_fns/structure/geometric.py Tue Jul  8 06:42:46 2008
> @@ -611,7 +611,7 @@
>         atom_id_ext = ''
>
>     # The origin atom.
> -    structure.atom_add(pdb_record='HETATM', atom_num='R_vect'+atom_id_ext, 
> atom_name=R, res_name=res_name_vect, chain_id=chain_id, res_num=res_num, 
> pos=origin, segment_id=None, element='C', struct_index=None)
> +    structure.atom_add(pdb_record='HETATM', atom_num='R_vect'+atom_id_ext, 
> atom_name='R', res_name=res_name_vect, chain_id=chain_id, res_num=res_num, 
> pos=origin, segment_id=None, element='C', struct_index=None)
>
>     # Create the PDB residue representing the vector.
>     structure.atom_add(pdb_record='HETATM', atom_num=atom_name+atom_id_ext, 
> atom_name=atom_name, res_name=res_name_vect, chain_id=chain_id, 
> res_num=res_num, pos=origin+vector*scale, segment_id=None, element='C', 
> struct_index=None)
>
>
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