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CCPNMR  February 2011

CCPNMR February 2011

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Subject:

Re: intra vs inter residue NCACX

From:

Rasmus Fogh <[log in to unmask]>

Reply-To:

CcpNmr software mailing list <[log in to unmask]>

Date:

Mon, 21 Feb 2011 13:46:30 +0000

Content-Type:

MULTIPART/MIXED

Parts/Attachments:

Parts/Attachments

TEXT/PLAIN (137 lines)

Dear Vicky,

It might be better for teh CO one, at least, where more than one residue 
is involved anyway. But as a no-solid(-state) person I can have no firrm 
opinion.

I am happy to make the change if you suggest that I do so.

Yours,

Rasmus

---------------------------------------------------------------------------
Dr. Rasmus H. Fogh                  Email: [log in to unmask]
Dept. of Biochemistry, University of Cambridge,
80 Tennis Court Road, Cambridge CB2 1GA, UK.     FAX (01223)766002

On Mon, 21 Feb 2011, Vicky Higman wrote:

> Dear Matthias and Rasmus,
> 
> going through the list of experiments again, I wonder whether perhaps the
> best thing would just be to call these experiments
> through-space NCACX/NCOCX and
> relayed NCACX/NCOCX.
> That might be less confusing than inter-residue NCACX/NCOCX and
> intra-residue NCACX/NCOCX.
> 
> Vicky
> 
> 
> 
> 
> On 21 February 2011 08:09, Vicky Higman <[log in to unmask]> wrote:
>       Hi Matthias,
>
>       there are in fact two new expt types for each of these expts:
>       inter-residue NCACX
>       intra-residue NCACX
>       inter-residue NCOCX
>       intra-residue NCOCX
>
>       Obviously the NCOCX is always inter-residue in the sense that
>       the N and the CO are from different residues, but we wanted a
>       system to distinguish between expts that had been recorded
>       with short mixing times where the CX part is always
>       intra-residue relative to the CA or the CO and those expts
>       that were recorded with a long mixing time, so the CX part
>       can be inter-residues relative to the CA or CO. This means
>       that a certain amount of discrimination is possible when it
>       comes to assignment options etc. It may also be useful if
>       someone wants to write an automated assignment routine based
>       on these expts etc.
>
>       Rasmus probably just wrote the backwards compatibility code
>       such that the old NCACX and NCOCX were automatically set to
>       the new inter-residue versions, but you can change this in
>       the Experiment/Experiments/Experiment Type tab if you want.
>
>       Possibly inter/intra-residue NCACX/NCOCX are not the best the
>       names, but it seemed a bit shorter than short/long-mixing
>       time NCACX/NCOCX. In some ways it also describes the
>       distinction better, in that the cut-off should not be a
>       particular mixing time, but what you actually observe in the
>       specrta. But if you think it is misleading and can thing of
>       something better, then do let us know.
>
>       In fact for a number of the new ssNMR epxt types we've had to
>       invent synonyms (all the different types of CCC expt for
>       example). I think the current list still contains some
>       mistakes etc. But I hope that we'll soon be able to
>       update/correct things.
>
>       I will hope to put some of this information on the Wiki site,
>       but am not quite sure how soon I will get round to it. (With
>       any luck there will also soon be a paper describing the ssNMR
>       related CCPN stuff.)
>
>       Vicky
> 
> 
> 
> 
> 
> On 20 February 2011 19:39, Matthias Huber
> <[log in to unmask]> wrote:
>       Hi,
>
>       I've seen that the old experiment types NCACX and NCOCX
>       get translated to inter-residue NCACX and inter-residue
>       NCOCX in CCPN 2.2.1.
>       I don't really understand this nomenclature for the
>       NCACX.  Since all resonances are within one residue, I
>       would call this intra-residue NCACX and the relayed one
>       inter-residue (thanks for adding it by the way).
>
>       Matthias
> 
> 
> 
> 
> --
> ****************************************************
> Dr. Victoria A. Higman-Davies
> 
> Dept of Biochemistry
> University of Oxford
> South Parks Road
> Oxford OX1 3QU
> U.K.
> 
> E-mail: [log in to unmask] (or [log in to unmask])
> 
> http://www.protein-nmr.org.uk
> ****************************************************
> 
> 
> 
> 
> --
> ****************************************************
> Dr. Victoria A. Higman-Davies
> 
> Dept of Biochemistry
> University of Oxford
> South Parks Road
> Oxford OX1 3QU
> U.K.
> 
> E-mail: [log in to unmask] (or [log in to unmask])
> 
> http://www.protein-nmr.org.uk
> ****************************************************
> 
> 
>

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