Mercurial > repos > bgruening > chemfp
diff test-data/CID_2244_FP4.fps @ 12:3b14765c22ee draft default tip
"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 |
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--- a/test-data/CID_2244_FP4.fps Wed Jun 24 13:12:05 2020 -0400 +++ b/test-data/CID_2244_FP4.fps Sat Sep 25 19:07:44 2021 +0000 @@ -1,7 +1,7 @@ #FPS1 #num_bits=307 #type=OpenBabel-FP4/1 -#software=OpenBabel/3.0.0 chemfp/1.6 -#source=CID_2244.sdf -#date=2019-05-03T12:39:27 +#software=OpenBabel/3.0.0 chemfp/1.6.1 +#source=/tmp/tmp6hdbhy1a/files/3/f/e/dataset_3fe99fed-d2c3-4f2e-a45b-f3f8ae8b83ad.dat +#date=2021-09-22T11:53:34 010000000000000000009800000000004001000000000000000000000000000000000240402801 2244