Egon Willighagen wrote:
On Mon, Oct 6, 2008 at 4:48 PM, Nina Jeliazkova <> wrote:
I would also be interested in finding a solution to the MOE SMARTS
extensions. Does MOE documentation come only with their products?

With the supporting info the implementation is pretty quick and
straightforward (here is mine from Friday evening :)

At least I got first post :)
Are your PkaNode use the SMARTSQueryTool too? How did you deal with
the difficult SMARTS?
Actually it uses Smarts implementation written by my colleague. But nevertheless, difficult smiles are not dealt yet  - too much to expect from a quick  implementation. I hope it will be possible to rewrite the smarts, given MOE documentation.