> "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/clouds/ResonanceIdentification.py",
> line 342, in makeIntensityInputFile
> d = (k/x)**(1/6.0)
> ValueError: negative number cannot be raised to a fractional power
>
> I'm trying to run the BACUS 3d version integrated in analysis.
> I have a 3D 15N-edited NOESY (and of course a 2D NOESY) but not a 13C-edited
> one.
>
> The console log reads as attached below, I don't get an error window within
> analysis.
>
> Could this be due to picked negative peaks in the diagonal?
Yes, that seems likely. Maybe just sort the peaks in the peaklist table
according to height to find and delete any negative one.
Let me know if you still have problems.
> Two more quick questions:
> - I also tried to use BACUS 2d using an external executable. Where are the
> created input files (shifts.inp, cylink.inp and tylink.inp) stored?
> - Is there any documentation available for the "structure" menu in analysis?
There might have been a bit, but I see that the Analysis documentation is
no longer visible on the web site. Grr.
In any case the documentation for the individual Structure options may be
missing, depending on how new they are.
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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