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. 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 [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
