Mercurial > repos > bgruening > chemfp
comparison test-data/CID_2244_FP2.fps @ 7:0d88631bb7de draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
author | bgruening |
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date | Tue, 07 May 2019 13:32:50 -0400 |
parents | 70b071de9bee |
children | 92c7cdc243e8 |
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6:e3a7d6cc87af | 7:0d88631bb7de |
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1 #FPS1 | 1 #FPS1 |
2 #num_bits=1021 | 2 #num_bits=1021 |
3 #type=OpenBabel-FP2/1 | 3 #type=OpenBabel-FP2/1 |
4 #software=OpenBabel/2.4.1 | 4 #software=OpenBabel/2.4.1 chemfp/1.5 |
5 #source=/tmp/tmptaAke4/files/000/dataset_3.dat | 5 #source=CID_2244.sdf |
6 #date=2017-05-19T13:52:59 | 6 #date=2019-05-03T12:39:13 |
7 00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004 2244 | 7 00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004 2244 |