Mercurial > repos > bgruening > chemfp

view test-data/sdf2fps_result1.fps @ 9:97899048dfa1 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit 621ba9193927fb8454e915303169276cac764f69"
author bgruening
date Tue, 10 Sep 2019 09:35:23 -0400
parents 70b071de9bee
children
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#FPS1
#num_bits=881
#type=CACTVS-E_SCREEN/1.0 extended=2
#software=CACTVS/unknown
#source=/tmp/tmpN2w37z/files/000/dataset_1.dat
#date=2017-05-19T14:27:41
030e1c000000000000000000000000000000000000000c00000000000000008000000058000010000030200119004c70010060001140044b100040100024040010118060101330e46c21ac5841de06a50788109de11113047100000000001000000000000000080000000000000000	2244