Dear Mara,
That is where things get difficult. As long as data are inside a CCPN
project, we carefully track how everything is connected, and the whole
process is automatic. Once data are inside Cyana we have no hooks to track
the individual items, and what happens depends on the internal processes
of Cyana. Which we are not experts in, to put it mildly. Keeping track
through exporting to Cyana and reading back again would require a careful,
handmade system that is tailored to Cyana. Also you would need to know
that a given set of Cyana data corresponded to a given part of the CCPN
project. Which is something that your average FormatConverter load does
not know.
As an example, there is at least one example of a program that reads in a
list of peaks and outputs a list of peaks, with no defined relationship
between the input peaks and the output peaks. Just try to hook the output
up properly afterwards!
Moving data back and forth without loss of information requires proper
integration between the *programs*, which again requires work from, in
this case, both CCPN and Cyana. It is not something you can do with file
conversion.
Regetfully 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 Tue, 8 Dec 2009, Mara Guariento wrote:
> Hi,
> actually the restraints were originally exported from Analysis via Format
> Converter, so I kind of expected Analysis to understand what was going on
> (once re-imported) and link them to the original peaks.
>
>
>
> Mara
>
>
>
>
> Quoting Wayne Boucher <[log in to unmask]>:
>
>> Hello,
>>
>> If the restraints are imported from Cyana then it is not known which
>> peak goes with which restraint. So it's not obvious that there will be
>> any way to work around this problem.
>>
>> (Were the restraints originally exported to Cyana from CCPN using the
>> Format Converter? If so it's possible there is a tag that could be
>> used to match up the restraints again but we'd have to talk to Wim
>> about that. And even if possible, it would involve changes to the code,
>> to try and take that into account.)
>>
>> Wayne
>>
>> On Tue, 8 Dec 2009, Mara Guariento wrote:
>>
>>> Dear all,
>>> I've just imported my restraints list from cyana into analysis (I'm
>>> currently using version 2.1.1) and calculated the violations. When I go
>>> to the violations tab I've a list of 0 under "peaks", so I guess it
>>> failed to link the restraints to the peaks. Any idea how to solve the
>>> problem?
>>>
>>>
>>> Thanks,
>>>
>>>
>>>
>>> Mara
>>>
>>>
>>>
>>>
>
>
>
> Mara Guariento
> Biomolecular NMR Unit
> University of Edinburgh
> School of Chemistry
> King's Buildings
> West Mains Road
> Edinburgh EH9 3JJ
> UK
> +44 131 650 4704 (office 209)
>
> --
> The University of Edinburgh is a charitable body, registered in
> Scotland, with registration number SC005336.
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