Mercurial > repos > bgruening > chemfp

comparison test-data/CID_2244_FP3.fps @ 12:3b14765c22ee draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"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=55 2 #num_bits=55
3 #type=OpenBabel-FP3/1 3 #type=OpenBabel-FP3/1
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/7/6/2/dataset_762912b3-00ea-43f4-929b-ec5575808d8d.dat
6 #date=2019-05-03T12:39:21 6 #date=2021-09-22T11:53:12
7 0400000c50b007 2244 7 0400000c50b007 2244