First of - congratulations on the paper! This gives us a way to give OB
developers their due by citing the publication.
I have found a few examples of Substances from Pubchem where OB 2.3.0
gives segfault - my guess is due to the presence of a dummy atom - e.g.
6361218
-OEChem-04171109372D
2 0 0 0 0 0 0 0 0999 V2000
-1.1666 0.0418 0.0000 * 0 3 0 0 0 0 0 0 0 0 0 0
0.3726 0.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
A 1
R
M CHG 1 1 1
M END
This particular molecule is SID 16361218.
While those are not real "molecules" the segfaults are quite unpleasant,
especially if it's one structure out of a big file of otherwise good
molecules. Has this been fixed already in the svn somewhere? I can share
a set of 5398 such structures from Pubchem substances.
Would it be possible to get the segfaults out of the way before 2.3.1
release?
Best regards,
Igor
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