Mercurial > repos > bgruening > openbabel_spectrophore_search

comparison test-data/CID_2244_FP2.fps @ 0:7133973beaf0 draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
author bgruening
date Sat, 20 May 2017 08:40:10 -0400
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-1:000000000000 0:7133973beaf0
1 #FPS1
2 #num_bits=1021
3 #type=OpenBabel-FP2/1
4 #software=OpenBabel/2.3.1
5 #source=CID_2244.sdf
6 #date=2012-05-15T16:40:38
7 00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004 2244