Mercurial > repos > bgruening > openbabel_remove_protonation_state

diff test-data/ob_convert_on_CID2244.inchi @ 0:0eabdfaef1d1 draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
author bgruening
date Sat, 20 May 2017 08:40:31 -0400
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/ob_convert_on_CID2244.inchi	Sat May 20 08:40:31 2017 -0400
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+InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) 2244