Re: [Rdkit-discuss] sanitization removes Hs - is this expected?
Open-Source Cheminformatics and Machine Learning
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From: Greg L. <gre...@gm...> - 2015-04-07 10:50:59
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On Tue, Apr 7, 2015 at 12:13 PM, Michal Krompiec <mic...@gm...> wrote: > Thanks a lot! > Glad it works. > By the way, it would be useful to have this feature (MergeQueryHs) also in > the substructure search KNIME node. > Indeed. :-) We already have a version of the MolToRDKit node ready to allow this; it just hasn't made it into the open-source version of the KNIME nodes yet (we forgot to include this the last time we updated those nodes). It's coming soon. -greg |