Mercurial > repos > bgruening > chemfp
diff chemfp_mol2fps/test-data/CID_2244_maccs.fps @ 0:354d3c6bb894 draft
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author | bgruening |
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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_mol2fps/test-data/CID_2244_maccs.fps Thu Aug 15 03:27:06 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