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Hello,

Tim says that should be fixed now, so the code should now ignore these 
non-standard chemComps rather than cause an error.

Wayne

On Mon, 22 Jun 2009, Lalit Deshmukh wrote:

> Hi,
>
> I have a phosphorylated tyrosine in my protein (CCPN code: Ptr). Everything
> has functioned correctly, however, if I want to print the secondary
> structure chart, analysis complains "could not load reference NMR data for
> the protein:Ptr".
>
> The error message is as follows:
> =============================================================================
>>>> 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/python2.5/lib/python2.5/lib-tk/Tkinter.py", line
> 498, in callit
>    func(*args)
>  File
> "/usr/local/ccpnmr/ccpnmr2.0/python/ccpnmr/analysis/popups/SecStructureGraph.py",
> line 890, in update
>    d_ca = getAtomShiftDiff(residue,'CA')
>  File
> "/usr/local/ccpnmr/ccpnmr2.0/python/ccpnmr/analysis/popups/SecStructureGraph.py",
> line 821, in getAtomShiftDiff
>    randomCoilShift = self.getRandomCoilShift(residue, atomType)
>  File
> "/usr/local/ccpnmr/ccpnmr2.0/python/ccpnmr/analysis/popups/SecStructureGraph.py",
> line 645, in getRandomCoilShift
>    value = getRandomCoilShift(chemAtom, context=context, sourceName='BMRB')
>  File
> "/usr/local/ccpnmr/ccpnmr2.0/python/ccpnmr/analysis/core/MoleculeBasic.py",
> line 771, in getRandomCoilShift
>    value += atomDict.get(atomName, 0.0)
> TypeError: unsupported operand type(s) for +=: 'NoneType' and 'float'
> =============================================================================
>
> Is there anyway around this?
>
> Thanks in advance,
>
> Regards,
> Lalit Deshmukh,
> University of Connecticut,
> Storrs, CT 06269
>