Mercurial > repos > bgruening > simsearch

diff test-data/simsearch_on_tragets_and_q.tabular @ 16:987b62da416d draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/simsearch commit d786052cd04f8b25eb4aff80b1b9724f62031b61
author bgruening
date Sat, 20 May 2017 13:05:53 -0400
parents b4cbee77896d
children e1e2746c8688
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--- a/test-data/simsearch_on_tragets_and_q.tabular	Fri Jul 19 16:28:47 2013 +0200
+++ b/test-data/simsearch_on_tragets_and_q.tabular	Sat May 20 13:05:53 2017 -0400
@@ -1,9 +1,9 @@
 #Simsearch/1
 #num_bits=881
-#type=Tanimoto k=4 threshold=0.7
-#software=chemfp/1.0
-#queries=q.fps
-#targets=target.fps
+#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
-4	28434379	55091752	0.9684	55091466	0.9682	55091416	0.9682	55102353	0.9682
+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