On Wed, Oct 7, 2009 at 7:36 AM, Egon Willighagen <[email protected]
> wrote:
> Hi Remy,
> What you would do is:
>
> * overwrite the module to draw atoms
> * create QueryAtom instead of IAtom upon draws
> * write a RendererModule to draw QueryAtom's the way you like
> * add a popup menu for editing the properties of the QueryAtom
> * write a fork of the SMILES generator to create SMARTS from the
> QueryAtomContainer
>
Apart from the rendering issues, why make a QueryAtomContainer by hand? The
SMARTSQueryTool will accept a SMILES as the query pattern
--
Rajarshi Guha
NIH Chemical Genomics Center
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