Not a bug, but .... (a) The SMILES format supports atom-based stereochemistry. This type of stereochemistry is axial.
(b) In any case, Open Babel does not detect axial stereochemistry - Noel On 17 September 2015 at 12:45, qiancheng shen <[email protected]> wrote: > Dear Openbabel group: > > I found a molecule which should have chiral atoms, but when I > tried to convert it from SDF to canonical SMILES with babel , the chiral > atoms disappeared. > > Is this a bug? > > > The mol file of this molecule is attached. Thank you very > much!! > > > Best, > > Qiancheng > > > > > ------------------------------------------------------------------------------ > Monitor Your Dynamic Infrastructure at Any Scale With Datadog! > Get real-time metrics from all of your servers, apps and tools > in one place. > SourceForge users - Click here to start your Free Trial of Datadog now! > http://pubads.g.doubleclick.net/gampad/clk?id=241902991&iu=/4140 > _______________________________________________ > OpenBabel-scripting mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/openbabel-scripting > ------------------------------------------------------------------------------ Monitor Your Dynamic Infrastructure at Any Scale With Datadog! Get real-time metrics from all of your servers, apps and tools in one place. SourceForge users - Click here to start your Free Trial of Datadog now! http://pubads.g.doubleclick.net/gampad/clk?id=241902991&iu=/4140 _______________________________________________ OpenBabel-scripting mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-scripting
