Mercurial > repos > bgruening > openbabel

diff modify/test-data/CID_2244_FP4.fps @ 0:527ecd2fc500 draft

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author bgruening
date Thu, 15 Aug 2013 03:25:06 -0400
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/modify/test-data/CID_2244_FP4.fps	Thu Aug 15 03:25:06 2013 -0400
@@ -0,0 +1,7 @@
+#FPS1
+#num_bits=307
+#type=OpenBabel-FP4/1
+#software=OpenBabel/2.3.1
+#source=CID_2244.sdf
+#date=2012-05-15T16:59:22
+010000000000000000009800000000004001000000000000000000000000000000000240402801	2244