On Mon, Jan 31, 2011 at 10:28 AM, SALDANA MIRANDA Diego <diego.saldana-mira...@ifpen.fr> wrote: > Hi, > > I would like to know if there is an article or a page explaining the > conversion to canonical SMILES in detail, I would like to reference it in an > article.
There is no paper describing the algorithm in detail (yet). However, this page http://openbabel.org/dev-api/canonical_code_algorithm.shtml combined together with references and the code should be enough. Feel free to ask more specific questions if there are things that are still not clear. Tim > Thank you very much, > > Diego Saldana > __________________________ > Notre adresse de messagerie évolue pour plus de simplicité vers : > prenom....@ifpen.fr. La racine @ifpenergiesnouvelles.fr reste néanmoins > active. > > Our e-mail address is changing to firstname.surn...@ifpen.fr. Nevertheless, > messages sent to the domain @ifpenergiesnouvelles.fr will still be > delivered. > > Ce message (et toutes ses pièces jointes éventuelles) est confidentiel et > établi à l'intention exclusive de ses destinataires. Toute utilisation de ce > message non conforme à sa destination, toute diffusion ou toute publication, > totale ou partielle, est interdite, sauf autorisation expresse. IFP Energies > nouvelles décline toute responsabilité au titre de ce message. > This message and any attachments (the message) are confidential and intended > solely for the addressees. Any unauthorised use or dissemination is > prohibited. IFP Energies nouvelles should not be liable for this message. > > Visitez notre site Web / Visit our web site : www.ifpenergiesnouvelles.fr / > www.ifpenergiesnouvelles.com > __________________________ > ------------------------------------------------------------------------------ > Special Offer-- Download ArcSight Logger for FREE (a $49 USD value)! > Finally, a world-class log management solution at an even better price-free! > Download using promo code Free_Logger_4_Dev2Dev. Offer expires > February 28th, so secure your free ArcSight Logger TODAY! > http://p.sf.net/sfu/arcsight-sfd2d > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > > ------------------------------------------------------------------------------ Special Offer-- Download ArcSight Logger for FREE (a $49 USD value)! Finally, a world-class log management solution at an even better price-free! Download using promo code Free_Logger_4_Dev2Dev. Offer expires February 28th, so secure your free ArcSight Logger TODAY! http://p.sf.net/sfu/arcsight-sfd2d _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
