Wim Vranken wrote:
> Hi Gary,
>
>> Is it possible to force the naming system during peak export in
>> format converter (in the same way that it is possible to set the
>> naming system for chemical shift output?)
>
> No, good point though - I didn't add it initially because there are
> some issues for this with some formats (like XEASY), but if you need
> it I'll add it (and it will be in the next release). In the meantime
> the quick fix is:
>
> in ccpnmr/format/converters/DataFormat.py:
>
> - look for the IOkeywords dictionary (at beginning of file)
>
> - look for the 'writePeaks': entry in there
>
> - add the following line in that section (before the last
> 'minimalPrompts' line!):
>
> 'forceNamingSystem': (None,False,'If set, will use this
> naming system instead of the default one. Leave as None for default!'),
>
> If you want it to come up in the GUI, you have to modify the file
> ccpnmr/format/general/Constants.py:
>
> - look for the IoSetupList list
>
> - look for the list starting with 'peaks' in there
>
> - in that section, look for the line:
>
> ['CheckButton','useCcpnChainInfo','Use CCPN chain and sequence
> codes:',0,None],
>
> - add the line (before or after the above one):
>
> ['SelectionListWithNone','forceNamingSystem','Use naming
> system:',namingSystems,None],
>
>
> Let me know if that works for you... .
>
> Bye,
>
> Wim
>
> .
>
many thanks wim.
The answer to does it work is yes! I had, ironically, already reverse
engineered it this morning (and was lucky enough to guess the right
answer). I had just tested it to find if it works and was amazed to
find that it did when I read your message!
As to do i need it, the answer is no not at the moment as it turned out
the bug I was tracking was actually one inside aria... (though being
able to do this did rule out one possibility and I guess it would be
useful as not everything to do with nmrview works with xplor or the
whatever the default output format is I guess!)
regards
gary
--
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Dr Gary Thompson
Astbury Centre for Structural Molecular Biology,
University of Leeds, Astbury Building,
Leeds, LS2 9JT, West-Yorkshire, UK Tel. +44-113-3433024
email: [log in to unmask] Fax +44-113-2331407
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