Re: r12841 - /1.3/sample_scripts/model_free/diff_min.py -- May 31, 2011 - 16:52

Yeah, but unfortunately users seem to expect everything on a silver platter ;)




On 31 May 2011 16:49, Sébastien Morin <sebastien.morin.1@xxxxxxxxx> wrote:
> Hi,
>
> Yes, that might be, but hopefully the community grows and we will catch them
> rapidly...
>
> People just have to keep in mind that sample script are there to help them,
> not to do everything for them...  :p
>
> Cheers,
>
>
> Séb  :)
>
>
> On 11-05-31 4:40 PM, Edward d'Auvergne wrote:
> > Cheers, I missed that one.  I think there are a number of scripts that
> > are out of date though :S
> >
> > Regards,
> >
> > Edward
> >
> >
> > On 31 May 2011 16:29,<sebastien.morin@xxxxxxxxx>  wrote:
> > > Author: semor
> > > Date: Tue May 31 16:29:49 2011
> > > New Revision: 12841
> > >
> > > URL: http://svn.gna.org/viewcvs/relax?rev=12841&view=rev
> > > Log:
> > > Updates for the diffusion tensor optimization sample script.
> > >
> > > The problem was identified (for sample script "dasha.py")
> > > by Shantanu Bhattacharyya<shantanu01 att cmu dott edu>  in the post at
> > > https://mail.gna.org/public/relax-users/2011-05/msg00018.html
> > > (Message-id:
> > > <7a068ac7a9e90b8e8d374b334a20d4be.squirrel@xxxxxxxxxxxxxxxxxxxxxx>).
> > >
> > > Modified:
> > >    1.3/sample_scripts/model_free/diff_min.py
> > >
> > > Modified: 1.3/sample_scripts/model_free/diff_min.py
> > > URL:
> > > http://svn.gna.org/viewcvs/relax/1.3/sample_scripts/model_free/diff_min.py?rev=12841&r1=12840&r2=12841&view=diff
> > >
> > > ==============================================================================
> > > --- 1.3/sample_scripts/model_free/diff_min.py (original)
> > > +++ 1.3/sample_scripts/model_free/diff_min.py Tue May 31 16:29:49 2011
> > > @@ -24,11 +24,7 @@
> > >
> > >
> > >  # Set the data pipe names (also the names of preset model-free models).
> > > -#pipes = ['m1']
> > >  pipes = ['m1', 'm2', 'm3', 'm4', 'm5', 'm6', 'm7', 'm8', 'm9']
> > > -
> > > -# Nuclei type
> > > -value.set('15N', 'heteronucleus')
> > >
> > >  # Minimise the model-free parameters.
> > >  print("\n\n\n\n\n")
> > > @@ -40,6 +36,9 @@
> > >  for name in pipes:
> > >     # Create the data pipe.
> > >     pipe.create(name, 'mf')
> > > +
> > > +    # Nuclei type
> > > +    value.set('15N', 'heteronucleus')
> > >
> > >     # Load the sequence.
> > >     sequence.read('noe.500.out', res_num_col=1)
> > >
> > >
> > > _______________________________________________
> > > relax (http://nmr-relax.com)
> > >
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> --
> Sébastien Morin, Ph.D.
> Postdoctoral Fellow, S. Grzesiek NMR Laboratory
> Department of Structural Biology
> Biozentrum, Universität Basel
> Klingelbergstrasse 70
> 4056 Basel
> Switzerland