Mercurial > repos > bgruening > chemfp

comparison test-data/CID_2244_FP4.fps @ 11:92c7cdc243e8 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit 70d32dc05d264ffbe03b0c62e54acd5e904c9b7e-dirty"
author bgruening
date Wed, 24 Jun 2020 13:12:05 -0400
parents 0d88631bb7de
children 3b14765c22ee
comparison
equal deleted inserted replaced
10:73de2fe4bf92 11:92c7cdc243e8
1 #FPS1 1 #FPS1
2 #num_bits=307 2 #num_bits=307
3 #type=OpenBabel-FP4/1 3 #type=OpenBabel-FP4/1
4 #software=OpenBabel/2.4.1 chemfp/1.5 4 #software=OpenBabel/3.0.0 chemfp/1.6
5 #source=CID_2244.sdf 5 #source=CID_2244.sdf
6 #date=2019-05-03T12:39:27 6 #date=2019-05-03T12:39:27
7 010000000000000000009800000000004001000000000000000000000000000000000240402801 2244 7 010000000000000000009800000000004001000000000000000000000000000000000240402801 2244