Re: [Cdk-devel] strange NCI SD file

[Egon W. <ego...@gm...>]

On Mon, Nov 14, 2011 at 8:54 PM, Rajarshi Guha <raj...@gm...> wrote:
> I got a mail from an rcdk user indicating that parsing an SD file
> failed. The contents is at https://gist.github.com/1364945 and is
> taken from the NCI collection.
>
> is this a valid file. The first atom has an R as the symbol; but my
> understanding was that R groups should be of the form R#.  I also see
> an atom alias entry, but it's not clear what the alias is

I don't know... I suggest asking on the Blue Obelisk eXchange.

Egon


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