Hi Simon,
> I've had some issues with ARIA converting my nmrview format peaklists in an
> odd way, so I thought I'd try ansig format instead. Is it the nature of
> ansig format that there can't be more than one assignment per peak (eg
> H4/H5) or is it just format converter?
>
> eg
>
> 46HB2/HB3 -> 42H30A/H30B/H30C
>
> gets converted to
>
> 46HB2 -> 42H30A
As Brian just mailed, Ansig can handle 'atom sets' (e.g. HB#), but not
true multiple assignments for a peak. The formatConverter should write out
HB# for a joint HB2/HB3 assignment, as long as the 'Compress names in
output' option is turned on for export, and provided it knows there is an
AtomSet for the HB2/HB3 pair (which is the case for standard amino acids).
However, if the HB2 and HB3 are stereospecifically assigned then it will
try to write two separate assignments - and only one will end up in the
peak list.
If you let me know what exactly you are looking for in the output then
I'll see what I can do.
Bye,
Wim
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