Mercurial > repos > bgruening > openbabel_addh

comparison test-data/CID_2244_maccs.fps @ 0:ada6daa717d2 draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
author bgruening
date Sat, 20 May 2017 08:37:26 -0400
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-1:000000000000 0:ada6daa717d2
1 #FPS1
2 #num_bits=166
3 #type=OpenBabel-MACCS/2
4 #software=OpenBabel/2.3.1
5 #source=CID_2244.sdf
6 #date=2012-05-15T17:00:39
7 0000000000000000000000010000016480cca2d21e 2244