Mercurial > repos > bgruening > rdock_rbcavity

comparison test-data/ligand.sdf @ 0:06f376dc117a draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit ef86cfa5f7ab5043de420511211579d03df58645"
author bgruening
date Wed, 02 Oct 2019 12:34:26 -0400
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comparison
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-1:000000000000 0:06f376dc117a
1 1S3V
2 OpenBabel07031809403D
3
4 54 56 0 0 1 0 0 0 0 0999 V2000
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115 M END
116 $$$$