Hi, I tried it on a couple of different installations and I can confirm the problem on 2.3.2 (Linux). I could also further simplify the test cases to c1cccn1C (segfault) and c1cccn1 (ok). The other installations I had access to were 2.3.1 (OSX), pretty recent dev (OSX) and 2.2.3 (Linux). On all those it worked without problem, so probably this is specific to 2.3.2.
Kind regards, Fredrik 7 feb 2014 kl. 16:07 skrev Pascal Muller <pascal.jm.mul...@gmail.com>: > Hi, > > Using Open Babel 2.3.2 (Linux), I'm able to convert the smiles of indometacin > > Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O indometacin > > into sdf or mol2, but not from mol2 to an other format (tried smi, sdf, mol2, > pdb) (the mol2 file being produced with Sybyl or obabel > obabel indometacin.smi -O indometacin.mol2 ) > > So > obabel indometacin.mol2 -O indometacin.smi > is only giving: > Segmentation fault > > Conversion of some other tested mol2 files is OK. > > And when reducing the structure to > c1c(c2cc(ccc2n1C)) > it's still seg. fault (smi --> mol2 OK, mol2 --> sdf = error) > > but > c1c(c2cc(ccc2n1)) > is well converted to mol2 and then to sdf. > > Does it happen to someone else? > > Best regards, > Pascal > ------------------------------------------------------------------------------ > Managing the Performance of Cloud-Based Applications > Take advantage of what the Cloud has to offer - Avoid Common Pitfalls. > Read the Whitepaper. > http://pubads.g.doubleclick.net/gampad/clk?id=121051231&iu=/4140/ostg.clktrk_______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
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