Mercurial > repos > bgruening > openbabel_remove_protonation_state

annotate test-data/2_mol.dat @ 12:e946a539ddf7 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 12:03:54 +0000
parents 2a8b2002ca5a
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
7
2a8b2002ca5a 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-]
2a8b2002ca5a 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-]