Mercurial > repos > bgruening > openbabel_spectrophore_search
comparison test-data/ob_prepare_ligands2.mol2 @ 8:aedce3959676 draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 72df8ae9b8fd9910b3d24aa0836b9b3c9d43f4fb
author | bgruening |
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date | Fri, 10 May 2019 08:10:28 -0400 |
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7:f93f3e01abe8 | 8:aedce3959676 |
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1 @<TRIPOS>MOLECULE | |
2 ***** | |
3 73 81 0 0 0 | |
4 SMALL | |
5 GASTEIGER | |
6 | |
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