Thanks a lot!!!
Yes, exactly the last three lines were missing. Now it worked. Thats really amazing!
Thanks again,
Marielle
On Mar 26, 2012, at 2:18 PM, Wayne Boucher wrote:
> Does your XEASY param file look like:
>
> Version ....................... 1
> Number of dimensions .......... 3
> 16 or 8 bit file type ......... 16
> Spectrometer frequency in w1 .. 125.7578
> Spectrometer frequency in w2 .. 50.6777
> Spectrometer frequency in w3 .. 500.1300
> Spectral sweep width in w1 .... 30.0017
> Spectral sweep width in w2 .... 13.0021
> Spectral sweep width in w3 .... 6.4918
> Maximum chemical shift in w1 .. 134.0009
> Maximum chemical shift in w2 .. 180.0010
> Maximum chemical shift in w3 .. 11.1898
> Size of spectrum in w1 ........ 128
> Size of spectrum in w2 ........ 256
> Size of spectrum in w3 ........ 512
> Submatrix size in w1 .......... 32
> Submatrix size in w2 .......... 32
> Submatrix size in w3 .......... 64
> Permutation for w1 ............ 3
> Permutation for w2 ............ 2
> Permutation for w3 ............ 1
> Folding in w1 ................. RSH
> Folding in w2 ................. RSH
> Folding in w3 ................. RSH
> Type of spectrum .............. HNCO
> Identifier for dimension w1 ... N15
> Identifier for dimension w2 ... N15
> Identifier for dimension w3 ... H1
>
> That is the kind of file I was assuming XEASY parameter files looked like, but it was from a sample of only a couple. Does your file not have the equivalent of the last three lines?
>
> Wayne
>
> On Mon, 26 Mar 2012, Marielle Waelti wrote:
>
>> Hello Wayne,
>>
>> Thanks a lot for you quick answer. But somehow it still does not work. I get always the following error message:
>> KeyError: 'Identifier for dimension w1'
>>
>> Do you have any idea what this could mean??
>>
>> Thanks,
>> Marielle
>>
>> The whole text:
>> Model read finished. Duration 0.745584964752
>> Model validity check skipped
>> Traceback (most recent call last):
>> File "/Applications/ccpnmr/ccpnmr2.2/python/ccp/format/spectra/params/XeasyData.py", line 127, in <module>
>> convertXeasyToAzara(xeasyParamFile, azaraDataFile, azaraParFile)
>> File "/Applications/ccpnmr/ccpnmr2.2/python/ccp/format/spectra/params/XeasyData.py", line 89, in convertXeasyToAzara
>> xeasyParams = XeasyParams(xeasyParamFile)
>> File "/Applications/ccpnmr/ccpnmr2.2/python/ccp/format/spectra/params/XeasyParams.py", line 73, in __init__
>> ExternalParams.__init__(self, **kw)
>> File "/Applications/ccpnmr/ccpnmr2.2/python/ccp/format/spectra/params/ExternalParams.py", line 103, in __init__
>> self.makeNewParams()
>> File "/Applications/ccpnmr/ccpnmr2.2/python/ccp/format/spectra/params/ExternalParams.py", line 170, in makeNewParams
>> self.parseFile()
>> File "/Applications/ccpnmr/ccpnmr2.2/python/ccp/format/spectra/params/XeasyParams.py", line 116, in parseFile
>> nuc = dd[XeasyParamDict['nuc']+ss]
>> KeyError: 'Identifier for dimension w1'
>>
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