Mercurial > repos > bgruening > openbabel_remduplicates

comparison test-data/ob_prepare_ligands1.mol2 @ 8:e289f65f6b91 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 08:16:21 -0400
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7:65254472e5b4 8:e289f65f6b91
1 @<TRIPOS>MOLECULE
2 *****
3 42 46 0 0 0
4 SMALL
5 GASTEIGER
6
7 @<TRIPOS>ATOM
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