Re: [Open Babel] Need help in Modifying Tanimoto coefficient

2011-02-02 Thread Daniel Zaharevitz
On Feb 1, 2011, at 12:34 PM, Imran Haque wrote: > On 02/01/2011 05:37 AM, Daniel Zaharevitz wrote: >> We will be >> looking to find a set of fingerprints that >> 1) never (or as close to never as we can get) return a value of 1.0 >> for different structures. > > I'm not sure that's it's implement

Re: [Open Babel] canonical SMILES question

2011-02-02 Thread SALDANA MIRANDA Diego
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 : R