Mercurial > repos > bgruening > chemfp

comparison test-data/CID_2244_MACCS.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=166 2 #num_bits=166
3 #type=OpenBabel-MACCS/2 3 #type=OpenBabel-MACCS/2
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/6/6/e/dataset_66e4701a-88cc-4176-aae2-d18d73319e2a.dat
6 #date=2019-05-03T12:39:49 6 #date=2021-09-22T11:54:01
7 0000000000000000000000010000016480cca2d21e 2244 7 0000000000000000000000010000016480cca2d21e 2244