fix CID_2244_MACCS.fps problem

bgruening · Apr 18, 2018 · 2fdf27d · 2fdf27d
1 parent 2d9bb54
commit 2fdf27d
Showing 1 changed file with 6 additions and 6 deletions.
diff --git a/chemicaltoolbox/chemfp/test-data/CID_2244_MACCS.fps b/chemicaltoolbox/chemfp/test-data/CID_2244_MACCS.fps
@@ -1,7 +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
+#num_bits=1021
+#type=OpenBabel-FP2/1
+#software=OpenBabel/2.4.1
+#source=/tmp/tmptaAke4/files/000/dataset_15.dat
+#date=2017-05-19T13:55:30
+00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004	2244