Mercurial > repos > bgruening > chemfp
annotate test-data/CID_2244_MACCS.fps @ 8:198b1e30c739 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit e78367b77f2294891914151f642685644d43a5b7"
author | bgruening |
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date | Tue, 10 Sep 2019 08:16:29 -0400 |
parents | 0d88631bb7de |
children | 92c7cdc243e8 |
rev | line source |
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2
70b071de9bee
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
bgruening
parents:
diff
changeset
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1 #FPS1 |
7
0d88631bb7de
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents:
2
diff
changeset
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2 #num_bits=166 |
0d88631bb7de
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents:
2
diff
changeset
|
3 #type=OpenBabel-MACCS/2 |
0d88631bb7de
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents:
2
diff
changeset
|
4 #software=OpenBabel/2.4.1 chemfp/1.5 |
0d88631bb7de
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents:
2
diff
changeset
|
5 #source=CID_2244.sdf |
0d88631bb7de
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents:
2
diff
changeset
|
6 #date=2019-05-03T12:39:49 |
0d88631bb7de
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents:
2
diff
changeset
|
7 0000000000000000000000010000016480cca2d21e 2244 |