Mercurial > repos > bgruening > openbabel_remove_protonation_state

comparison test-data/ob_prepare_ligands1.mol2 @ 8:adc3b24c083f 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 08:19:15 -0400
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7:00263ca6ffb8 8:adc3b24c083f
1 @<TRIPOS>MOLECULE
2 *****
3 42 46 0 0 0
4 SMALL
5 GASTEIGER
6
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