Mercurial > repos > bgruening > chemfp

diff test-data/CID_2244_FP3.fps @ 7:0d88631bb7de draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
author bgruening
date Tue, 07 May 2019 13:32:50 -0400
parents 70b071de9bee
children 92c7cdc243e8
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--- a/test-data/CID_2244_FP3.fps	Fri Mar 23 03:26:33 2018 -0400
+++ b/test-data/CID_2244_FP3.fps	Tue May 07 13:32:50 2019 -0400
@@ -1,7 +1,7 @@
 #FPS1
-#num_bits=1021
-#type=OpenBabel-FP2/1
-#software=OpenBabel/2.4.1
-#source=/tmp/tmptaAke4/files/000/dataset_7.dat
-#date=2017-05-19T13:53:45
-00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004	2244
+#num_bits=55
+#type=OpenBabel-FP3/1
+#software=OpenBabel/2.4.1 chemfp/1.5
+#source=CID_2244.sdf
+#date=2019-05-03T12:39:21
+0400000c50b007	2244