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
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