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comparison test-data/CID_2244_MACCS.fps @ 38:02e03ac072cf 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 13:19:01 -0400
parents 73b8c87779ae
children 0a1c281e9224
comparison
equal deleted inserted replaced
37:ea7557bd4635 38:02e03ac072cf
1 #FPS1 1 #FPS1
2 #num_bits=1021 2 #num_bits=166
3 #type=OpenBabel-FP2/1 3 #type=OpenBabel-MACCS/2
4 #software=OpenBabel/2.4.1 4 #software=OpenBabel/2.4.1 chemfp/1.5
5 #source=/tmp/tmptaAke4/files/000/dataset_15.dat 5 #source=CID_2244.sdf
6 #date=2017-05-19T13:55:30 6 #date=2019-05-03T12:39:49
7 00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004 2244 7 0000000000000000000000010000016480cca2d21e 2244