Mercurial > repos > bgruening > openbabel_spectrophore_search
view test-data/CID_2244_FP2.fps @ 4:99ecf8dd7ba1 draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit c84729ec58f7f52d594066158afed175208d3d66
author | bgruening |
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date | Wed, 24 May 2017 10:04:08 -0400 |
parents | 7133973beaf0 |
children |
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#FPS1 #num_bits=1021 #type=OpenBabel-FP2/1 #software=OpenBabel/2.3.1 #source=CID_2244.sdf #date=2012-05-15T16:40:38 00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004 2244