Mercurial > repos > bgruening > openbabel_spectrophore_search

annotate test-data/ob_filter_on_CID2244_2.smi @ 5:a9ceb72aac4b draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 81bccfe3545098dc46a377102816e7fae642c95f
author bgruening
date Wed, 03 Jan 2018 13:12:06 -0500
parents 7133973beaf0
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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7133973beaf0 planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
bgruening
parents:
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1 O(c1c(cccc1)C(=O)O)C(=O)C 2244