Mercurial > repos > bgruening > chemfp

diff test-data/CID_2244_MACCS.fps @ 2:70b071de9bee draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
author bgruening
date Sat, 20 May 2017 08:31:44 -0400
parents
children 0d88631bb7de
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/CID_2244_MACCS.fps	Sat May 20 08:31:44 2017 -0400
@@ -0,0 +1,7 @@
+#FPS1
+#num_bits=1021
+#type=OpenBabel-FP2/1
+#software=OpenBabel/2.4.1
+#source=/tmp/tmptaAke4/files/000/dataset_15.dat
+#date=2017-05-19T13:55:30
+00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004	2244