Mercurial > repos > bgruening > chemfp

diff test-data/CID_2244_FP2.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
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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