comparison test-data/CID_2244_FP3.fps @ 0:06340f46ecb8 draft

planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 72df8ae9b8fd9910b3d24aa0836b9b3c9d43f4fb
author bgruening
date Fri, 10 May 2019 08:55:09 -0400
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comparison
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-1:000000000000 0:06340f46ecb8
1 #FPS1
2 #num_bits=55
3 #type=OpenBabel-FP3/1
4 #software=OpenBabel/2.3.1
5 #source=CID_2244.sdf
6 #date=2012-05-15T16:59:15
7 0400000c50b007 2244