From: Mark R. <ma...@eb...> - 2010-02-16 15:16:54
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> Another thing: Do you plan to allow drawing and saving SMARTS too in future? I think it would be very useful for generating inputs for representing combinatorial libraries, substructure searches, etc. > As Stefan mentioned I'm working on that; actually not SMARTS, but reading/writing/drawing R-groups through the RGFile format (basically an extended molfile defined by Symyx). This will become a patch partly for the CDK (io/isomorphism) and partly JChempaint (drawing/editing). Should come out in the not-too-far-away future, I hope. Mark |