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comparison test-data/CID_2244_FP4.fps @ 7:0d88631bb7de draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
author bgruening
date Tue, 07 May 2019 13:32:50 -0400
parents 70b071de9bee
children 92c7cdc243e8
comparison
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6:e3a7d6cc87af 7:0d88631bb7de
1 #FPS1 1 #FPS1
2 #num_bits=1021 2 #num_bits=307
3 #type=OpenBabel-FP2/1 3 #type=OpenBabel-FP4/1
4 #software=OpenBabel/2.4.1 4 #software=OpenBabel/2.4.1 chemfp/1.5
5 #source=/tmp/tmptaAke4/files/000/dataset_11.dat 5 #source=CID_2244.sdf
6 #date=2017-05-19T13:54:39 6 #date=2019-05-03T12:39:27
7 00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004 2244 7 010000000000000000009800000000004001000000000000000000000000000000000240402801 2244