Mercurial > repos > bgruening > openbabel_remove_protonation_state

view test-data/CID_2244_maccs.fps @ 15:22a866858b81 draft default tip

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit d9c51279c061a1da948a2582d5b502ca7573adbf
author bgruening
date Thu, 15 Aug 2024 11:00:20 +0000
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