Mercurial > repos > bgruening > openbabel_remsmall
view test-data/CID_2244_FP3.fps @ 8:e70dc90a1e58 draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 72df8ae9b8fd9910b3d24aa0836b9b3c9d43f4fb
author | bgruening |
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date | Fri, 10 May 2019 08:54:32 -0400 |
parents | 2704d4017b13 |
children |
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#FPS1 #num_bits=55 #type=OpenBabel-FP3/1 #software=OpenBabel/2.3.1 #source=CID_2244.sdf #date=2012-05-15T16:59:15 0400000c50b007 2244