Mercurial > repos > bgruening > chemfp

diff test-data/CID_2244_MACCS.fps @ 36:bcb3c078b2b4 draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit d786052cd04f8b25eb4aff80b1b9724f62031b61
author bgruening
date Sat, 20 May 2017 12:56:09 -0400
parents 73b8c87779ae
children 02e03ac072cf
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/CID_2244_MACCS.fps	Sat May 20 12:56:09 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