Any obvious idea why the following file causes a segfault with "obabel -isdf junk.sdf -osdf -Ofoo.sdf"? It's something to do with the R groups because, if I replace them with 'C', the file works. Is there a way to skip generating output instead of making OpenBabel segfault?
OpenBabel06261100152D 13 8 0 0 0 0 0 0 0 0999 V2000 3.6440 1.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1123 3.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3919 3.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8602 1.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2521 0.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0849 0.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3644 0.8602 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 1.2717 -82.4145 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 8.8849 0.8602 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 10.0278 5.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0278 5.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1645 5.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4440 5.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 7 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 A 7 R A 8 R A 9 R M END $$$$ -- A. Heifets http://www.cs.toronto.edu/~aheifets/ ------------------------------------------------------------------------------ All of the data generated in your IT infrastructure is seriously valuable. Why? It contains a definitive record of application performance, security threats, fraudulent activity, and more. Splunk takes this data and makes sense of it. IT sense. And common sense. http://p.sf.net/sfu/splunk-d2d-c2 _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss