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view test-data/CID_2244_torsions.fps @ 7:0d88631bb7de draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit ed9b6859de648aa5f7cde483732f5df20aaff90e
author bgruening
date Tue, 07 May 2019 13:32:50 -0400
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children 92c7cdc243e8
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#FPS1
#num_bits=2048
#type=RDKit-Torsion/2 fpSize=2048 targetSize=4
#software=RDKit/2018.09.3 chemfp/1.5
#source=test-data/CID_2244.smi
#date=2019-04-25T15:11:02
00100010000003000000000000000000000000000000000000000000000000000000000000000000000000000000000300000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000000000100000000000000000000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000100000010000001000000000000110000000000000000000000000000000000001001000000000000000000001000000000000000000000	2244