Mercurial > repos > bgruening > openbabel_spectrophore_search
view test-data/CID_2244_maccs.fps @ 11:d92ada24e4ad draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit cda909c5e0b88fa3d12abe43fc72b8dd0729417a"
author | bgruening |
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date | Thu, 09 Apr 2020 10:04:08 -0400 |
parents | 7133973beaf0 |
children |
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#FPS1 #num_bits=166 #type=OpenBabel-MACCS/2 #software=OpenBabel/2.3.1 #source=CID_2244.sdf #date=2012-05-15T17:00:39 0000000000000000000000010000016480cca2d21e 2244