Mercurial > repos > bgruening > chemfp
annotate test-data/CID_2244_FP3.fps @ 12:3b14765c22ee draft default tip
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit 7fb96a3844b4771084f18de2346ed6d5e241d839"
author | bgruening |
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date | Sat, 25 Sep 2021 19:07:44 +0000 |
parents | 92c7cdc243e8 |
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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
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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=55 |
0d88631bb7de
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents:
2
diff
changeset
|
3 #type=OpenBabel-FP3/1 |
12
3b14765c22ee
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit 7fb96a3844b4771084f18de2346ed6d5e241d839"
bgruening
parents:
11
diff
changeset
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4 #software=OpenBabel/3.0.0 chemfp/1.6.1 |
3b14765c22ee
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit 7fb96a3844b4771084f18de2346ed6d5e241d839"
bgruening
parents:
11
diff
changeset
|
5 #source=/tmp/tmp6hdbhy1a/files/7/6/2/dataset_762912b3-00ea-43f4-929b-ec5575808d8d.dat |
3b14765c22ee
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit 7fb96a3844b4771084f18de2346ed6d5e241d839"
bgruening
parents:
11
diff
changeset
|
6 #date=2021-09-22T11:53:12 |
7
0d88631bb7de
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents:
2
diff
changeset
|
7 0400000c50b007 2244 |