Mercurial > repos > bgruening > chemfp

comparison test-data/CID_2244_FP2.fps @ 12:3b14765c22ee draft default tip

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit 7fb96a3844b4771084f18de2346ed6d5e241d839"
author bgruening
date Sat, 25 Sep 2021 19:07:44 +0000
parents 92c7cdc243e8
children
comparison
equal deleted inserted replaced
11:92c7cdc243e8 12:3b14765c22ee
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/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/a/f/f/dataset_affef7f7-3399-4725-a9fa-ea0be7eb33ee.dat
6 #date=2019-05-03T12:39:13 6 #date=2021-09-22T11:52:48
7 00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004 2244 7 00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004 2244