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List: relax-devel
Subject: Re: How would you "de-select" not to optimize residues not selected for clustering
From: "Edward d'Auvergne" <edward () nmr-relax ! com>
Date: 2013-08-29 16:24:24
Message-ID: CAED9pY9Amzhry5WXWnuPqns+E9CEaZhVihVrW9T-b_gaUjZygQ () mail ! gmail ! com
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Hi,
The clustering 'free spins' structure is not really a structure. It
is really everything that does not have a cluster ID. From the
information from the first analysis without clustering, you will be
able to determine the spins which do not experience Rex. You would
then deselect these in a clustering analysis to avoid unnecessary
calculations. There is quite a lot of manual interaction in a
relaxation dispersion analysis! This is not relax specific.
Regards,
Edward
On 29 August 2013 17:58, Troels Emtek=E6r Linnet <tlinnet@gmail.com> wrote:
> Hi Edward.
>
> How would you "de-select" not to optimize residues not selected for
> clustering?
>
> Should I set clustering "free spins" to empty?
> Or should I de-select the spins I dont want?
>
> Best
> Troels
>
> Troels Emtek=E6r Linnet
>
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