Mercurial > repos > bgruening > chembl
diff chembl.py @ 5:1ade252ebe08 draft
"planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author | bgruening |
---|---|
date | Tue, 28 Jul 2020 08:20:47 -0400 |
parents | 59eea7d0d720 |
children | a57de37f12c2 |
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--- a/chembl.py Tue May 19 05:34:34 2020 -0400 +++ b/chembl.py Tue Jul 28 08:20:47 2020 -0400 @@ -13,7 +13,10 @@ """ smiles = set() for smi in res: - smiles.add('{}\t{}'.format(smi['molecule_structures']['canonical_smiles'], smi['molecule_chembl_id'])) + try: + smiles.add('{}\t{}'.format(smi['molecule_structures']['canonical_smiles'], smi['molecule_chembl_id'])) + except TypeError: + continue return smiles def sim_search(smiles, tanimoto):