We've just changed the canonicalisation code. On 16 September 2010 13:19, Gert Thijs <gert.th...@silicos.com> wrote: > Tim, > > I am using OB trunk and after updating, I notice that the new > canonical smiles differ strongly from the ones previously generated. > Is this normal? > > Gert > > > On Sep 15, 2010, at 4:46 PM, Tim Vandermeersch wrote: > >> >> Are you using OB trunk? If so, the canonical coding algorithm is slow >> at the moment but this should be improved in the next couple of days. >> >> Tim >> > > > > ------------------------------------------------------------------------------ > Start uncovering the many advantages of virtual appliances > and start using them to simplify application deployment and > accelerate your shift to cloud computing. > http://p.sf.net/sfu/novell-sfdev2dev > _______________________________________________ > OpenBabel-Devel mailing list > OpenBabel-Devel@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-devel >
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