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multipleChains FC issue #198

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago 
For 3 entries: 1ao2 1ao4 1h0q

Model read finished. Duration 1.05294299126
Model validity check skipped
Defined allChemCompDataPath:/Users/jd/ccpn_tmp/data/allChemComps
Read msd.adatah.localConstants.py version Tue Sep  2 14:56:33 CEST 2008
Doing 1ao2...
Traceback (most recent call last):
  File "/Users/jd/workspace34/recoord/python/recoord2/msd/linkNmrStarData.py", line 680, in 
<module>
    LinkNmrStarData(sys.argv)
  File "/Users/jd/workspace34/recoord/python/msd/adatah/Generic.py", line 87, in __init__
    self.catchError(raiseError,timeFlag)
  File "/Users/jd/workspace34/recoord/python/msd/adatah/Generic.py", line 80, in __init__
    self.runSpecific()
  File "/Users/jd/workspace34/recoord/python/recoord2/msd/linkNmrStarData.py", line 169, in 
runSpecific
    self.readNmrStarFile(inNmrStarFile, version = self.originalNmrStarVersion, maxNum = 
self.numModelsToRead)
  File "/Users/jd/workspace34/recoord/python/msd/adatah/NmrStar.py", line 37, in 
readNmrStarFile
    self.formatObjectDict[formatKey].readProject(nmrStarFile, entry = self.entry, molSystem = 
self.molSystem, strucGen = self.strucGen, useOriginalChainCode = True, 
linkAtoms = False, 
version = version, chemCompPath = chemCompArchiveDataDir, minimalPrompts = 1, 
**localKeywds)
  File "/Users/jd/workspace34/ccpn/python/ccpnmr/format/converters/DataFormat.py", line 
917, in readProject
    self.getFullProject(fileName,**keywds)
  File "/Users/jd/workspace34/ccpn/python/ccpnmr/format/converters/NmrStarFormat.py", line 
607, in getFullProject
    self.readCoordinates(molSystem = molSystem, strucGen = strucGen, minimalPrompts = 
self.minimalPrompts, version = self.version, **localKeywds)
  File "/Users/jd/workspace34/ccpn/python/ccpnmr/format/converters/DataFormat.py", line 
1273, in readCoordinates
    self.autoSelectCoordNamingSystem()
  File "/Users/jd/workspace34/ccpn/python/ccpnmr/format/converters/DataFormat.py", line 
12239, in autoSelectCoordNamingSystem
    if multipleChains:
UnboundLocalError: local variable 'multipleChains' referenced before assignment

Original issue reported on code.google.com by jurge...@gmail.com on 24 Mar 2009 at 12:15

GoogleCodeExporter commented 9 years ago 
Made small fix, is now working on my laptop.

Update CCPN SourceForge CVS.

Note that this entry has no restraints!

Original comment by wfvran...@gmail.com on 27 Mar 2009 at 9:05

GoogleCodeExporter commented 9 years ago 
Thanks, all 3 entries move thru fine at nmr.cmbi.ru.nl now.
I've updated CCPN SourceForge CVS and chem comps on tang now.
Chris, can you rerun the entries?

Original comment by jurge...@gmail.com on 2 Apr 2009 at 9:48

GoogleCodeExporter commented 9 years ago 
It all works on tang.

Original comment by schulte....@gmail.com on 9 Apr 2009 at 4:29