Hello,
Tim says:
That's an intersting one. Looks like there's a restraint with no link to
nmr.resonances. I supect that this is due to an imported restraint list or
an old restraint for which the original resonance was deleted.
In any case I have guarded against the immediate error and the fix is
posted.
Nevertheless, because of missing resonances the creation of a synthetic
peak list may not work - links to chemical shifts are required to define
peak positions. To overcome this there is the [Setup Resonances] option in
the Restraints tab of Restraints & Violations popup which will try to fill
in any missing bits.
Wayne
On Tue, 7 Apr 2009, Lalit Deshmukh wrote:
> Hi,
> While generating synthetic peak lists by using ' Make from constraints' I
> am getting following error message:
>
>>>> Exception in Tkinter callback
> Traceback (most recent call last):
> File "/usr/local/ccpnmr/python2.5/lib/python2.5/lib-tk/Tkinter.py", line
> 1403, in __call__
> return self.func(*args)
> File
> "/usr/local/ccpnmr/ccpnmr2.0/python/ccpnmr/analysis/popups/EditPeakLists.py", line
> 418, in makeFromConstraints
> peaks = makePeaksFromConstraints(self.constraintList.constraints,
> self.constraintSpectrum)
> File
> "/usr/local/ccpnmr/ccpnmr2.0/python/ccpnmr/analysis/core/ConstraintBasic.py", line
> 241, in makePeaksFromConstraints
> isotope0 = resonance0.isotopeCode
> AttributeError: 'NoneType' object has no attribute 'isotopeCode'
>
>
> Thanks,
>
> Regards,
> Lalit Deshmukh
> University of Connecticut
> Storrs, CT 06269, USA
>
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