Re: [Rdkit-discuss] fragments aromaticity

[Greg L. <gre...@gm...>]

just to close this thread off

---------- Forwarded message ----------
From: Evgueni Kolossov <eko...@gm...>
Date: Wed, Oct 21, 2009 at 12:26 PM
Subject: Re: [Rdkit-discuss] fragments aromaticity
To: Greg Landrum <gre...@gm...>


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