You didn't say what language so I get to choose: Python. facade = openbabel.OBStereoFacade(myOBMol) print facade.HasTetrahedralStereo(atomId)
To get the Id for a particular atom, you can call GetId(). Don't confuse with GetIdx(). See the docs at http://openbabel.org/api/2.3/classOpenBabel_1_1OBStereoFacade.shtml - Noel On 10 May 2013 21:46, Anamika Kothari <[email protected]> wrote: > Hi, > > > I would like to get source code for identifying a chiral center in the > molecule. > > > Anu > > ------------------------------------------------------------------------------ > Learn Graph Databases - Download FREE O'Reilly Book > "Graph Databases" is the definitive new guide to graph databases and > their applications. This 200-page book is written by three acclaimed > leaders in the field. The early access version is available now. > Download your free book today! http://p.sf.net/sfu/neotech_d2d_may > _______________________________________________ > OpenBabel-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss ------------------------------------------------------------------------------ Learn Graph Databases - Download FREE O'Reilly Book "Graph Databases" is the definitive new guide to graph databases and their applications. This 200-page book is written by three acclaimed leaders in the field. The early access version is available now. Download your free book today! http://p.sf.net/sfu/neotech_d2d_may _______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
