On 9 May 2011 10:22, Chris Morley <c.mor...@gaseq.co.uk> wrote: > On 08/05/2011 23:00, dave.nunn wrote: >> I'm running on Mac OSX 10.6.7, obabel version: Open Babel 2.3.0 -- Apr 27 >> 2011 -- 22:43:21 >> >> obabel -:'OC[C@H]1O[C@H](O)[C@@H]([C@@H]([C@@H]1O)O)O' -O tmp.svg >> open tmp.svg >> >> When you look at the output, the wedges all run backwards to the standard >> convention? I.e., the pointy end of the wedge should be on carbon (the >> center with marked stereochemistry) not on the hydrogens? The information in >> SD file format looks correct from: >> obabel -:'OC[C@H]1O[C@H](O)[C@@H]([C@@H]([C@@H]1O)O)O' -O tmp.sdf --gen2d >> -xw > > Wedge and hash depiction was a bit flakey in 2.3.0, which is why it was > marked as experimental. But I think this has been corrected and the > development code (for 2.3.1) now shows the pointy end on the carbons. > Thanks for the feedback.
Ah right. It's working fine now if I specify "-xw", but there's no wedge/hash bonds otherwise. Can we default to "-xw"? > Chris > > ------------------------------------------------------------------------------ > WhatsUp Gold - Download Free Network Management Software > The most intuitive, comprehensive, and cost-effective network > management toolset available today. Delivers lowest initial > acquisition cost and overall TCO of any competing solution. > http://p.sf.net/sfu/whatsupgold-sd > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > ------------------------------------------------------------------------------ WhatsUp Gold - Download Free Network Management Software The most intuitive, comprehensive, and cost-effective network management toolset available today. Delivers lowest initial acquisition cost and overall TCO of any competing solution. http://p.sf.net/sfu/whatsupgold-sd _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
