Mercurial > repos > bgruening > chemfp

view test-data/CID_2244_torsions.fps @ 12:3b14765c22ee draft default tip

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit 7fb96a3844b4771084f18de2346ed6d5e241d839"
author bgruening
date Sat, 25 Sep 2021 19:07:44 +0000
parents 92c7cdc243e8
children
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#FPS1
#num_bits=2048
#type=RDKit-Torsion/2 fpSize=2048 targetSize=4
#software=RDKit/2018.09.3 chemfp/1.6.1
#source=/tmp/tmp6hdbhy1a/files/2/b/a/dataset_2baed193-8060-4271-9a6f-4f865eea0daa.dat
#date=2021-09-22T11:54:15
00100010000003000000000000000000000000000000000000000000000000000000000000000000000000000000000300000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000000000100000000000000000000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000100000010000001000000000000110000000000000000000000000000000000001001000000000000000000001000000000000000000000	2244