Mercurial > repos > bgruening > chemfp
comparison 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 |
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10:73de2fe4bf92 | 11:92c7cdc243e8 |
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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/2.4.1 chemfp/1.5 | 4 #software=OpenBabel/3.0.0 chemfp/1.6 |
5 #source=CID_2244.sdf | 5 #source=CID_2244.sdf |
6 #date=2019-05-03T12:39:27 | 6 #date=2019-05-03T12:39:27 |
7 010000000000000000009800000000004001000000000000000000000000000000000240402801 2244 | 7 010000000000000000009800000000004001000000000000000000000000000000000240402801 2244 |