Mercurial > repos > bgruening > openbabel_remove_protonation_state

annotate test-data/2_mol.dat @ 15:22a866858b81 draft default tip

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit d9c51279c061a1da948a2582d5b502ca7573adbf
author bgruening
date Thu, 15 Aug 2024 11:00:20 +0000
parents 00263ca6ffb8
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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7
00263ca6ffb8 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents:
diff changeset
1 CC(=O)OC1=CC=CC=C1C(=O)[O-]
00263ca6ffb8 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents:
diff changeset
2 CC(=O)OC1=CC=CC=C1C(=O)[O-]