Update pains from wehi_pains.csv

[bp-kelley]

The update_pains.py in the FilterCatalog directory should update the Filter Catalog with the new set of pains in rdkit/data/PAINS, this is currently not automated.

[apahl]

@bp-kelley: Brian, thanks a lot for all the work you put into the PAINS filters, this is highly appreciated.
Could you change update_pains.py, so that it would be also Python3 compatible (print function...). If you want to, I can also generate a pull request.
Kind regards,
Axel

[apahl]

also, I just noticed, the path should be ../../../Data/Pains/wehi_pains.csv instead of ../../../data/PAINS/wehi_pains.csv (at least on Linux, case matters).
Kind regards,
Axel

[bp-kelley]

Will do. Thanks for the heads up, osx's case insensitivity is a silly, silly thing. We recently had a problem with git and two file names that only differed by case :)

---

Brian Kelley

On Aug 18, 2015, at 8:48 AM, Axel Pahl notifications@github.com wrote:

@bp-kelley: Brian, thanks a lot for all the work you put into the PAINS filters, this is highly appreciated.
Could you change update_pains.py, so that it would be also Python3 compatible (print function...). If you want to, I can also generate a pull request.
Kind regards,
Axel

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