#57 BioUnit Error in PDBModel.take with synthetic PDB

open
2
2012-05-30
2012-05-11
No

The BioUnit.take seems to be confused by a hybrid PDB file save from Chimera:

>>> x.report()
Traceback (most recent call last):
File \"<stdin>\", line 1, in <module>
File \"/home/raik/data/py/Biskit/PDBModel.py\", line 360, in report
m = self.takeChains( [c] )
File \"/home/raik/data/py/Biskit/PDBModel.py\", line 2434, in takeChains
return self.take( i, cindex=index )
File \"/home/raik/data/py/Biskit/PDBModel.py\", line 2297, in take
r.biounit = self.biounit.take(i)
File \"/home/raik/data/py/Biskit/BioUnit.py\", line 107, in take
r.biomol = dict([ (bm , self.biomol[bm]) for bm in remaining_biomols ])
KeyError: -1
>>>

Discussion

  • Raik Gruenberg

    Raik Gruenberg - 2012-05-30
    • priority: 5 --> 2
     

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