Mercurial > repos > bgruening > chemfp

diff test-data/simsearch_on_tragets_and_q.tabular @ 3:892811a1f12c draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/simsearch commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
author bgruening
date Sat, 20 May 2017 08:41:21 -0400
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/simsearch_on_tragets_and_q.tabular	Sat May 20 08:41:21 2017 -0400
@@ -0,0 +1,9 @@
+#Simsearch/1
+#num_bits=881
+#type=Tanimoto k=all threshold=0.7
+#software=chemfp/1.1p1
+#queries=./query.fps
+#targets=./targets.fps
+#query_sources=CID_28434379.sdf
+#target_sources=Desktop/3579363516810334491.sdf
+13	28434379	6499094	0.9615	6485578	0.9679	55079807	0.9313	3153534	0.9557	55102353	0.9682	55091466	0.9682	55091416	0.9682	6485577	0.9497	55169009	0.9560	55091752	0.9684	55091467	0.9623	55168823	0.9563	55091849	0.9563