Mercurial > repos > bgruening > openbabel_remove_protonation_state
view test-data/CID_2244_maccs.fps @ 1:b40a6733bc83 draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 8350bb3a632722c33bc91ec5238d47a536903729
author | bgruening |
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date | Sat, 20 May 2017 09:01:24 -0400 |
parents | 0eabdfaef1d1 |
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