Mercurial > repos > bgruening > chemfp

view test-data/simsearch_on_tragets_and_q.tabular @ 3:892811a1f12c draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/simsearch commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
author bgruening
date Sat, 20 May 2017 08:41:21 -0400
parents
children
line wrap: on
line source

#Simsearch/1
#num_bits=881
#type=Tanimoto k=all threshold=0.7
#software=chemfp/1.1p1
#queries=./query.fps
#targets=./targets.fps
#query_sources=CID_28434379.sdf
#target_sources=Desktop/3579363516810334491.sdf
13	28434379	6499094	0.9615	6485578	0.9679	55079807	0.9313	3153534	0.9557	55102353	0.9682	55091466	0.9682	55091416	0.9682	6485577	0.9497	55169009	0.9560	55091752	0.9684	55091467	0.9623	55168823	0.9563	55091849	0.9563