Mercurial > repos > bgruening > openbabel_spectrophore_search

annotate test-data/2_mol.dat @ 8:aedce3959676 draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 72df8ae9b8fd9910b3d24aa0836b9b3c9d43f4fb
author bgruening
date Fri, 10 May 2019 08:10:28 -0400
parents f93f3e01abe8
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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f93f3e01abe8 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents:
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1 CC(=O)OC1=CC=CC=C1C(=O)[O-]
f93f3e01abe8 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-]