jakesylvestre / cing

Automatically exported from code.google.com/p/cing
0 stars 0 forks source link

FC crashes on CS merging into CCPN file #286

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago
What steps will reproduce the problem?
1. Adding the CS to entry

What is the expected output? What do you see instead?
http://nmr.cmbi.ru.nl/NRG-CING/prep/S/po/1pon/1pon_starCS2Ccpn.log

...
# Matching NMR-STAR file to molSystem... 
Python nmrStar reader courtesy of Jurgen Doreleijers (BMRB) - with 
modifications added.
Parsing STAR file: 
/Users/jd/wattosTestingPlatform/bmrb/rsync/bmr3118/bmr3118_21.str
Done [75] subs with comment at beginning of line
Done [174] subs with comment not at beginning of line
Parsed: [10] datanodes (top level count only)
Traceback (most recent call last):
  File "/Users/jd/workspace35/cingStable/python/cing/Scripts/FC/mergeNrgBmrbShifts.py", line 144, in <module>
    MergeNrgBmrbShifts(sys.argv)
  File "/Users/jd/workspace35/ccpn/python/pdbe/adatah/Generic.py", line 89, in __init__
    self.catchError(raiseError,timeFlag)
  File "/Users/jd/workspace35/ccpn/python/pdbe/adatah/Generic.py", line 82, in __init__
    self.runSpecific()
  File "/Users/jd/workspace35/cingStable/python/cing/Scripts/FC/mergeNrgBmrbShifts.py", line 101, in runSpecific
    self.setBmrbNmrStarMapping(inputStarFile)
  File "/Users/jd/workspace35/ccpn/python/pdbe/adatah/NmrStar.py", line 317, in setBmrbNmrStarMapping
    if resLabelList[molCode][resLabelIndexStart][0] in pdbResLabels:
IndexError: list index out of range

Original issue reported on code.google.com by jurge...@gmail.com on 24 Feb 2011 at 8:06

GoogleCodeExporter commented 9 years ago
There's only two residues in the BMRB shift list (with only one shift value 
each). Anyway my code wasn't expecting something so short, fixed that now, 
check out in SF CVS:

pdbe.adatah.NmrStar

Original comment by wfvran...@gmail.com on 28 Feb 2011 at 9:50

GoogleCodeExporter commented 9 years ago
I got:
   Repository revision: 1.1.2.3 /cvsroot/ccpn/ccpn/python/pdbe/adatah/NmrStar.py,v
and:
Found fraction of at least   cutoff 0.05 at 1.00  overall (STAR/CING: 2/2)

Great!

Original comment by jurge...@gmail.com on 28 Feb 2011 at 10:26