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Entry fails in FC for strange message on chemical shifts #253

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago 
What steps will reproduce the problem?
1. process entry even without any restraints being parsed. 

What is the expected output? What do you see instead?
On my development machine:

Model read finished. Duration 1.28685498238
Model validity check skipped
Read pdbe.adatah.localConstants.py version 4.5.7
Read recoord2.pdbe.localConstants.py version 1.2.3
Read recoord2.pdbe.localConstants.py version 1.2.3
Removing existing project...
Doing 2ktr...
Traceback (most recent call last):
  File "/Users/jd/workspace35/recoord/python/recoord2/pdbe/linkNmrStarData.py", line 707, in <module>
    LinkNmrStarData(sys.argv)
  File "/Users/jd/workspace35/ccpn/python/pdbe/adatah/Generic.py", line 88, in __init__
    self.catchError(raiseError,timeFlag)
  File "/Users/jd/workspace35/ccpn/python/pdbe/adatah/Generic.py", line 81, in __init__
    self.runSpecific()
  File "/Users/jd/workspace35/recoord/python/recoord2/pdbe/linkNmrStarData.py", line 182, in runSpecific
    self.runLinkResonances()
  File "/Users/jd/workspace35/ccpn/python/pdbe/adatah/Generic.py", line 562, in runLinkResonances
    sequenceComparison.createFormatFileChainInformation()
  File "/Users/jd/workspace35/ccpn/python/ccpnmr/format/process/sequenceCompare.py", line 206, in createFormatFileChainInformation
    raise SequenceCompareError('No format chain codes in imported chemical shift file, cannot continue!')
ccpnmr.format.process.sequenceCompare.SequenceCompareError: 'No format chain 
codes in imported chemical shift file, cannot continue!'

On grunt the same traceback is found when Chris tried to process with some 
parsed restraints. Looks like a problem with the NMR-STAR file from Wattos. 
It's located on grunt at: 

/docr/ echo $ccpn_tmp_dir/data/archives/bmrb/nmrRestrGrid/2ktr/joinedCoord.str 
/raid/docr/ccpn_tmp/data/archives/bmrb/nmrRestrGrid/2ktr/joinedCoord.str

Original issue reported on code.google.com by jurge...@gmail.com on 8 Jun 2010 at 12:02

GoogleCodeExporter commented 9 years ago 
I've also been keeping this updated:
http://sunfish.bmrb.wisc.edu/nmrRestrGrid/

So you can access the joinedCoords from the web.

Original comment by schulte....@gmail.com on 8 Jun 2010 at 1:42

GoogleCodeExporter commented 9 years ago 
So this (confusing) message appears when there's no restraint data in the input 
file... the chemical shift bit of text is because of historical reasons. I've 
changed this after talking to Chris in Madison, will close this issue.

Original comment by wfvran...@gmail.com on 23 Jul 2010 at 3:08