Mercurial > repos > bgruening > chemfp

annotate test-data/CID_2244_MACCS.fps @ 39:28c487eb8399 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit e78367b77f2294891914151f642685644d43a5b7"
author bgruening
date Tue, 10 Sep 2019 08:15:52 -0400
parents 02e03ac072cf
children 0a1c281e9224
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33
73b8c87779ae planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
bgruening
parents:
diff changeset
1 #FPS1
38
02e03ac072cf planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents: 33
diff changeset
2 #num_bits=166
02e03ac072cf planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents: 33
diff changeset
3 #type=OpenBabel-MACCS/2
02e03ac072cf planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents: 33
diff changeset
4 #software=OpenBabel/2.4.1 chemfp/1.5
02e03ac072cf planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents: 33
diff changeset
5 #source=CID_2244.sdf
02e03ac072cf planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents: 33
diff changeset
6 #date=2019-05-03T12:39:49
02e03ac072cf planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents: 33
diff changeset
7 0000000000000000000000010000016480cca2d21e 2244