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comparison 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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6:e3a7d6cc87af 7:0d88631bb7de
1 #FPS1
2 #num_bits=2048
3 #type=RDKit-Torsion/2 fpSize=2048 targetSize=4
4 #software=RDKit/2018.09.3 chemfp/1.5
5 #source=test-data/CID_2244.smi
6 #date=2019-04-25T15:11:02
7 00100010000003000000000000000000000000000000000000000000000000000000000000000000000000000000000300000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000000000100000000000000000000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000100000010000001000000000000110000000000000000000000000000000000001001000000000000000000001000000000000000000000 2244