OK guys, thank you so much for your explanation!!! Now it results clear to me.
I asked because I've never seen before an EXPLICIT definition of regio-isomery on a SMILES so I couldn't understand. I was believing that in SMILES the regio-isomery definition was simply following the chemistry cis-trans rules (and then making explicit only the group with higher priority at each side of the double bond. Now than I know how is work, openbabel solution it seem to me clear and easier. Than you again! P.S. Please, do you know if it exist a document where I can found all the rules followed by openbabel for the SMILES canonization? -- View this message in context: http://forums.openbabel.org/very-strange-canonical-SMILES-BUG-or-normal-behaviour-tp3856542p3858922.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ All of the data generated in your IT infrastructure is seriously valuable. Why? It contains a definitive record of application performance, security threats, fraudulent activity, and more. Splunk takes this data and makes sense of it. IT sense. And common sense. http://p.sf.net/sfu/splunk-d2dcopy2 _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
