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diff chemfp_clustering/old/in.fps @ 0:354d3c6bb894 draft

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author bgruening
date Thu, 15 Aug 2013 03:27:06 -0400
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/chemfp_clustering/old/in.fps	Thu Aug 15 03:27:06 2013 -0400
@@ -0,0 +1,8 @@
+#FPS1
+#num_bits=1021
+#type=OpenBabel-FP2/1
+#software=OpenBabel/2.3.90
+#source=/media/data/web/galaxy-central/database/job_working_directory/065/65986/task_0/dataset_69208.dat
+#date=2013-04-12T10:40:57
+00220160a00006e20000e6060f0300e4841084982840200c014e002c0410040014011115004010279800311100043605210244501832c000a2a801162080000144000c302065020881082000c2040738a2088150018a210090800b088049500019b00c08006440811300500021010120104c801102081842100003010a024200	a
+00220160a00006e20000e6060f0300e4841084982840200c014e002c0410040014011115004010279800311100043605210244501832c000a2a801162080000144000c302065020881082000c2040738a2088150018a210090800b088049500019b00c08006440811300500021010120104c801102081842100003010a024200	b