Mercurial > repos > bgruening > openbabel_addh

comparison test-data/ob_prepare_ligands1.mol2 @ 8:883fe4f7f1b2 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 08:53:02 -0400
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7:d2e6d682bcd0 8:883fe4f7f1b2
1 @<TRIPOS>MOLECULE
2 *****
3 42 46 0 0 0
4 SMALL
5 GASTEIGER
6
7 @<TRIPOS>ATOM
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