Mercurial > repos > bgruening > chemfp

annotate test-data/CID_2244_FP3.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
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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2
70b071de9bee planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
bgruening
parents:
diff changeset
1 #FPS1
7
0d88631bb7de planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents: 2
diff changeset
2 #num_bits=55
0d88631bb7de planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents: 2
diff changeset
3 #type=OpenBabel-FP3/1
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3b14765c22ee "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit 7fb96a3844b4771084f18de2346ed6d5e241d839"
bgruening
parents: 11
diff changeset
4 #software=OpenBabel/3.0.0 chemfp/1.6.1
3b14765c22ee "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit 7fb96a3844b4771084f18de2346ed6d5e241d839"
bgruening
parents: 11
diff changeset
5 #source=/tmp/tmp6hdbhy1a/files/7/6/2/dataset_762912b3-00ea-43f4-929b-ec5575808d8d.dat
3b14765c22ee "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit 7fb96a3844b4771084f18de2346ed6d5e241d839"
bgruening
parents: 11
diff changeset
6 #date=2021-09-22T11:53:12
7
0d88631bb7de planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
bgruening
parents: 2
diff changeset
7 0400000c50b007 2244