Dear All,
We had a recent problem like this. What happened was that a Resonance had
become linked to itself, which did not fit with the code. I thought this
had been fixed (in some versions at least) so that links to the resonance
itself were illegal and gave another error, but there may be unresolved
problems still.
Yours,
Rasmus
On Feb 6 2007, Tim Stevens wrote:
> >
> >
> > "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/QualityControlBasic.py",
> > line 298, in analyseChmicalShifts
> > bound = getBoundResonances(resonance, recalculate=True)
> > File
> > "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/AssignmentBasic.py",
> > line 214, in getBoundResonances
> > resonance.setCovalentlyBound(resonances)
> > File "/usr/local/ccpnmr/ccpnmr1.0/python/ccp/api/nmr/Nmr.py", line
> > 91659, in setCovalentlyBound
> > oldSelves.remove(self)
> > ValueError: list.remove(x): x not in list
>
> I'm still mystified by this. Initially I thought that a resonance might
> have been deleted, but this doesn't seem possible here.
>
> Anyhow, I've put in some debugging code to catch the above exception. So
> if it happens again (or you can trigger it) please send me the resulting
> output...
>
> Thanks,
>
> T.
>
>
>
> -------------------------------------------------------------------------------
> Dr Tim Stevens Email: [log in to unmask]
> Department of Biochemistry [log in to unmask]
> University of Cambridge Phone: +44 1223 766018 (office)
> 80 Tennis Court Road +44 7816 338275 (mobile)
> Old Addenbrooke's Site +44 1223 364613 (home)
> Cambridge CB2 1GA WWWeb: http://www.bio.cam.ac.uk/~tjs23
> United Kingdom http://www.pantonia.co.uk
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> ------ +NH3CH(CH(CH3)OH)C(O)NHCH(CH(CH3)CH2CH3)C(O)NHCH(CH2CH2SCH3)CO2-
> -------
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