Hi Tim, Thank you very much for your quick answer, I think that will be good enough.
Diego -----Message d'origine----- De : Tim Vandermeersch [mailto:tim.vandermeer...@gmail.com] Envoyé : mardi 1 février 2011 11:48 À : SALDANA MIRANDA Diego Cc : openbabel-discuss@lists.sourceforge.net Objet : Re: [Open Babel] canonical SMILES question 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 > > __________________________ 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
