Fantastic, thank you! Igor
On Tue, 2011-10-11 at 13:07 -0400, My Th wrote: > O , 2011-10-11 12:52 -0400, Igor Filippov [Contr] rakstīja: > > 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 > > Hi! > > It is fixed in SVN. The fix should be pulled in also in 2.3.1 branch, > but I haven't tested that. > > > Reinis > ------------------------------------------------------------------------------ All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity and more. Splunk takes this data and makes sense of it. Business sense. IT sense. Common sense. http://p.sf.net/sfu/splunk-d2d-oct _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
