Mercurial > repos > bgruening > chemfp
comparison test-data/CID_2244_FP4.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 |
children |
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11:92c7cdc243e8 | 12:3b14765c22ee |
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1 #FPS1 | 1 #FPS1 |
2 #num_bits=307 | 2 #num_bits=307 |
3 #type=OpenBabel-FP4/1 | 3 #type=OpenBabel-FP4/1 |
4 #software=OpenBabel/3.0.0 chemfp/1.6 | 4 #software=OpenBabel/3.0.0 chemfp/1.6.1 |
5 #source=CID_2244.sdf | 5 #source=/tmp/tmp6hdbhy1a/files/3/f/e/dataset_3fe99fed-d2c3-4f2e-a45b-f3f8ae8b83ad.dat |
6 #date=2019-05-03T12:39:27 | 6 #date=2021-09-22T11:53:34 |
7 010000000000000000009800000000004001000000000000000000000000000000000240402801 2244 | 7 010000000000000000009800000000004001000000000000000000000000000000000240402801 2244 |