Mercurial > repos > bgruening > openbabel

diff modify/test-data/CID_2244_maccs.fps @ 0:6493d130f018

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author bgruening
date Tue, 26 Mar 2013 14:49:44 -0400
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/modify/test-data/CID_2244_maccs.fps	Tue Mar 26 14:49:44 2013 -0400
@@ -0,0 +1,7 @@
+#FPS1
+#num_bits=166
+#type=OpenBabel-MACCS/2
+#software=OpenBabel/2.3.1
+#source=CID_2244.sdf
+#date=2012-05-15T17:00:39
+0000000000000000000000010000016480cca2d21e	2244