Mercurial > repos > bgruening > ctb_frankenstein_ligand

comparison test-data/ligand.mol @ 0:7a4306d69801 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit 6037a8c8d53839daad1b183e1ae0329862ac2c2c"
author bgruening
date Mon, 04 May 2020 07:41:13 -0400
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-1:000000000000 0:7a4306d69801
1 1S3V
2 OpenBabel07031809403D
3
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115 M END