Mercurial > repos > bgruening > chemfp
diff test-data/CID_2244_FP2.fps @ 11:92c7cdc243e8 draft
"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 |
line wrap: on
line diff
--- a/test-data/CID_2244_FP2.fps Fri Oct 18 04:57:52 2019 -0400 +++ b/test-data/CID_2244_FP2.fps Wed Jun 24 13:12:05 2020 -0400 @@ -1,7 +1,7 @@ #FPS1 #num_bits=1021 #type=OpenBabel-FP2/1 -#software=OpenBabel/2.4.1 chemfp/1.5 +#software=OpenBabel/3.0.0 chemfp/1.6 #source=CID_2244.sdf #date=2019-05-03T12:39:13 00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004 2244