Wim,
I tried exporting my crosspeaks back to ANSIG format from the
project that's giving trouble and I get the following trace. I have
attached the warnings that I get in case that sheds any light. There are
a bunch of arbitrary/placeholder assignments that were in the orginal file
- could these be the problem?
WRT the warnings about XPLOR sysNames being unavailable for degenerate Val
and Leu methyls - is that because you don't use e.g. HG##, HD## in your
mappings?
Traceback:
Exception in Tkinter callback
Traceback (most recent call last):
File
"/usr/src/build/143041-i386/install/usr/lib/python2.2/lib-tk/Tkinter.py",
line 1292, in __call__
return apply(self.func, args)
File
"/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/format/gui/ExportFormatPopup.py",
line 171, in <lambda>
self.exportButton[component] = Tkinter.Button(master, text = "export
%s" % component, command = lambda kw = keyword, comp = component:
self.exportToFile(kw,comp))
File
"/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/format/gui/ExportFormatPopup.py",
line 265, in exportToFile
if eval("formatClass.%s(self.fileName%s)" %
(self.function[component],addString)):
File "<string>", line 0, in ?
File
"/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/format/converters/DataFormat.py",
line 1457, in writePeaks
self.setPeakFilePeaks()
File
"/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/format/converters/DataFormat.py",
line 4464, in setPeakFilePeaks
self.setPeakFilePeakDimInfo()
File
"/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/format/converters/AnsigFormat.py",
line 318, in setPeakFilePeakDimInfo
atomId = atomIds[0]
IndexError: list index out of range
--
Dr. Brian O. Smith ---------------------- B.Smith at bio.gla.ac.uk
Division of Biochemistry & Molecular Biology,
Institute Biomedical & Life Sciences,
Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.
Tel: 0141 330 5167/6459 Fax: 0141 330 8640
Warning: No resonanceSet for resonance with name ' .1070.HN' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1070.N' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1069.HN' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1069.N' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1068.HN' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1068.N' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1065.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1067.HN' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1067.N' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .2001.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .2000.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .10.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1064.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .103.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .111.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .29.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1066.CO' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1067.CO' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1069.CO' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1068.CO' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1070.CO' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1067.CA' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1066.CA' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1066.CB' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1067.CB' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1068.CA' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1068.CB' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1070.CA' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1069.CA' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .1070.CB' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .90.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .110.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .74.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .87.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .81.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .84.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .82.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .43.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .37.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .54.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .28.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .3.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .51.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .24.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .76.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .23.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .88.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .106.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .2.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .107.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .14.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .12.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .20.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .26.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .27.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .30.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .32.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .38.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .42.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .44.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .46.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .47.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .52.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .57.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .62.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .66.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .73.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .75.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .77.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .80.' (ansig naming) - ignored
Warning: No resonanceSet for resonance with name ' .83.' (ansig naming) - ignored
Warning: no XPLOR sysName available for ' .76.CG*', trying IUPAC.
Warning: no XPLOR sysName available for ' .14.CG*', trying IUPAC.
Warning: no XPLOR sysName available for ' .39.CG*', trying IUPAC.
Warning: no XPLOR sysName available for ' .46.CG*', trying IUPAC.
Warning: no XPLOR sysName available for ' .54.CG*', trying IUPAC.
Warning: no XPLOR sysName available for ' .55.CG*', trying IUPAC.
Warning: no XPLOR sysName available for ' .68.CG*', trying IUPAC.
Warning: no XPLOR sysName available for ' .70.CG*', trying IUPAC.
Warning: no XPLOR sysName available for ' .75.CG*', trying IUPAC.
Warning: no XPLOR sysName available for ' .77.CD*', trying IUPAC.
Warning: no XPLOR sysName available for ' .78.CG*', trying IUPAC.
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