Hello,
Those who attended the RDKit UGM at the EBI may remember that I
gave a talk on a structure standardisation tool I'd been working on. A
few people expressed an interest, so I said I'd see about open-sourcing
it. Well, I've done some work to tidy it up a bit, and it's now
available from GitHub at 'https://github.com/flatkinson/standardiser'.
Hopefully it's clear enough how it works, but I'd be happy to answer
any questions. Any feedback on the tool itself or the documentation
provided would would also be much appreciated.
Thanks,
Francis
--
Dr Francis L Atkinson
Chemogenomics Group
European Bioinformatics Institute (EMBL-EBI)
European Molecular Biology Laboratory
Wellcome Trust Genome Campus
Hinxton
Cambridge CB10 1SD
United Kingdom
(01223) 494473
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