just to close this thread off ---------- Forwarded message ---------- From: Evgueni Kolossov <ekolos...@gmail.com> Date: Wed, Oct 21, 2009 at 12:26 PM Subject: Re: [Rdkit-discuss] fragments aromaticity To: Greg Landrum <greg.land...@gmail.com>
Greg, I think I just described it wrong - it was VISUALIZED as double bonds... Because everything is Ok now I think that the problem was in the way I been passing it to the viewer as string - in case of using MolToMolBlock the argument was wrong and it was "unkekulized" and in this way passed to the viewer which was displaying it as a double bonds. Regards, Evgueni ------------------------------------------------------------------------------ Come build with us! The BlackBerry(R) Developer Conference in SF, CA is the only developer event you need to attend this year. Jumpstart your developing skills, take BlackBerry mobile applications to market and stay ahead of the curve. Join us from November 9 - 12, 2009. Register now! http://p.sf.net/sfu/devconference _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
