This is great! Thanks Jan.
I haven't tried it yet, but based on the GitHub README it looks like this
is only for Excel on a Windows box. Is that right, or can Mac versions of
Excel also work? And since it's come up on the mailing list recently, is
there a plan to expand to/move to Python 3 at any point soon?
Curt
On Sun, Jun 18, 2017 at 11:06 AM, Jan Holst Jensen <j...@biochemfusion.com>
wrote:
> Hi RDKitters,
>
> I am happy to announce an open source Excel add-in that gives easy access
> to the RDKit Python API. The add-in is BSD-licensed like RDKit.
> https://github.com/janholstjensen/rdkit4excel
>
> Screenshot of the add-in running in Excel 2016 (note: molecule rendering
> requires additional 3rd party software):
>
>
> The add-in is easily extendable via pure Python scripting. A new Excel
> function is added by adding a function to the CRDKitXL Python class and
> annotating the new function's input/output parameter types through
> structured comments. For example, adding an "rdkit_SmilesToMolBlock()"
> function that has a single "smiles" string input parameter:
>
> #RDKITXL: in:smiles:str, out:str
> def rdkit_SmilesToMolBlock(self, smiles):
> # Python function implementation follows here...
>
>
> Many thanks to Esben Jannik Bjerrum who did the implementation of this
> first version.
>
> Cheers
> -- Jan Holst Jensen
>
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