Add medium size Kripo dataset
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sverhoeven commented
The tiny dataset is not big enough for a comprehensive example. A larger dataset is needed focused on a GPCR family.
sverhoeven commented
Subset available at https://surfdrive.surf.nl/files/index.php/s/mucZMwT97QPuyFL
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Searched for 'gpcr' on http://rcsb.org and saved identifiers as 'gpcr_pdbs.tx'.
kripodb fragmentsdb_filter --pdbs gpcr_pdbs.txt Kripo20151223.sqlite kripo-gpcr.sqlite
kripodb distmatrix_filter --fragmentsdb Kripo20151223.sqlite 01-01_to_13-13.out.csi.h5 kripo-gpcr.h5
kripodb fragmentsdb_filter --matrix kripo-gpcr.h5 Kripo20151223.sqlite kripo-gpcrandhits.sqlite