Mercurial > repos > bgruening > chemfp

diff test-data/CID_2244_MACCS.fps @ 42:0a1c281e9224 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 19:05:59 +0000
parents 02e03ac072cf
children
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--- a/test-data/CID_2244_MACCS.fps	Fri Oct 18 04:57:12 2019 -0400
+++ b/test-data/CID_2244_MACCS.fps	Sat Sep 25 19:05:59 2021 +0000
@@ -1,7 +1,7 @@
 #FPS1
 #num_bits=166
 #type=OpenBabel-MACCS/2
-#software=OpenBabel/2.4.1 chemfp/1.5
-#source=CID_2244.sdf
-#date=2019-05-03T12:39:49
+#software=OpenBabel/3.0.0 chemfp/1.6.1
+#source=/tmp/tmp6hdbhy1a/files/6/6/e/dataset_66e4701a-88cc-4176-aae2-d18d73319e2a.dat
+#date=2021-09-22T11:54:01
 0000000000000000000000010000016480cca2d21e	2244