Mercurial > repos > bgruening > openbabel_remove_protonation_state
annotate test-data/CID_2244_addh.can @ 11:5dc2a6cd6da1 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit cda909c5e0b88fa3d12abe43fc72b8dd0729417a"
author | bgruening |
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date | Thu, 09 Apr 2020 10:11:55 -0400 |
parents | 0eabdfaef1d1 |
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0eabdfaef1d1
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
bgruening
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1 CC(=O)Oc1ccccc1C(=O)[O-] 2244 |