Mercurial > repos > bgruening > chemfp
annotate test-data/CID_2244_FP4.fps @ 11:92c7cdc243e8 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit 70d32dc05d264ffbe03b0c62e54acd5e904c9b7e-dirty"
author | bgruening |
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date | Wed, 24 Jun 2020 13:12:05 -0400 |
parents | 0d88631bb7de |
children | 3b14765c22ee |
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=307 |
0d88631bb7de
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents:
2
diff
changeset
|
3 #type=OpenBabel-FP4/1 |
11
92c7cdc243e8
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit 70d32dc05d264ffbe03b0c62e54acd5e904c9b7e-dirty"
bgruening
parents:
7
diff
changeset
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4 #software=OpenBabel/3.0.0 chemfp/1.6 |
7
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=2019-05-03T12:39:27 |
0d88631bb7de
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents:
2
diff
changeset
|
7 010000000000000000009800000000004001000000000000000000000000000000000240402801 2244 |