Dear Matthias,
Not immediately obvious what happens. The shift match tolerance shouldbe
set beforehand before the program gets to the code that causes an error.
When it does not work, have you tried looking in M:Structure:MAke Distance
Restraints {Shift Match Tolerances} for the spectrum that causes an error?
Does ti look right for the number of dimensions of that spectrum? If you
go to that menu furst, do you still get the error afterwards?
Yours,
Rasmus
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Dr. Rasmus H. Fogh Email: [log in to unmask]
Dept. of Biochemistry, University of Cambridge,
80 Tennis Court Road, Cambridge CB2 1GA, UK. FAX (01223)766002
On Thu, 19 May 2011, Matthias Huber wrote:
> Dear all,
>
> i've tried creating restraints based on shift match for several spectra in my project. It worked well for some spectra but for other I got the following error message.
>
> Matthias
>
>
>
>
>
> bash-3.2$ bin/ccpnmr_2.2.1/bin/analysis
> Model read finished. Duration 2.09108114243
> Model validity check skipped
> CcpNmr Analysis Version 2.2. Release 1 (Copyright 2003-2010 CCPN)
> Distribution created Tue Feb 15 09:37:25 2011
>
> If you use CcpNmr Analysis, please quote the following reference:
>
> Wim F. Vranken, Wayne Boucher, Tim J. Stevens, Rasmus H. Fogh, Anne
> Pajon, Miguel Llinas, Eldon L. Ulrich, John L. Markley, John Ionides
> and Ernest D. Laue (2005). The CCPN Data Model for NMR Spectroscopy:
> Development of a Software Pipeline. Proteins 59, 687 - 696.
>
> A copy of the in-program documentation is located at:
> http://www.ccpn.ac.uk/documentation
>
> For how-tos and FAQs visit the CCPN wiki site at:
> http://www.ccpn.ac.uk/wiki
>
> To report bugs use the bug tracker at:
> http://www.ccpn.ac.uk/bugs
>
> For help and support join the mailing list at:
> http://www.ccpn.ac.uk/support
>
> For Python API documentation, tutorials and CCPN web applications visit:
> http://www.ccpn.ac.uk/
>
>>>> Registered (Matthias Huber, ETH Zurich, [log in to unmask])
> Exception in Tkinter callback
> Traceback (most recent call last):
> File "/Users/mahu/bin/ccpnmr_2.2.1/python2.6/lib/python2.6/lib-tk/Tkinter.py", line 1410, in __call__
> return self.func(*args)
> File "/Users/mahu/bin/ccpnmr_2.2.1/ccpnmr2.2/python/ccpnmr/analysis/popups/CalcDistConstraints.py", line 1418, in calcShiftMatchRestraints
> self.calculateConstraints(doShiftMatch=True)
> File "/Users/mahu/bin/ccpnmr_2.2.1/ccpnmr2.2/python/ccpnmr/analysis/popups/CalcDistConstraints.py", line 1479, in calculateConstraints
> maxDist=maxDist)
> File "/Users/mahu/bin/ccpnmr_2.2.1/ccpnmr2.2/python/ccpnmr/analysis/core/ConstraintBasic.py", line 2478, in makeAmbigDistConstraints
> raise Exception(msg)
> Exception: No tolerance set for dataDim <ccp.nmr.Nmr.FreqDataDim ['defaultProject', 23, 1, 1]> of dataSource <ccp.nmr.Nmr.DataSource ['defaultProject', 23, 1]>
>
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