Mercurial > repos > bgruening > prepare_ligands_for_docking

annotate test-data/obrmions_on_2_mol.smi @ 6:5486f7a2b0cb draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 327c29cc43f56d7067ab9fa51323ea31951db98b"
author bgruening
date Tue, 10 Nov 2020 20:38:02 +0000
parents 06340f46ecb8
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06340f46ecb8 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 72df8ae9b8fd9910b3d24aa0836b9b3c9d43f4fb
bgruening
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1 CC(=O)Oc1ccccc1C(=O)[O-]
06340f46ecb8 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 72df8ae9b8fd9910b3d24aa0836b9b3c9d43f4fb
bgruening
parents:
diff changeset
2 CC(=O)Oc1ccccc1C(=O)[O-]