Filtering rules in effect at docking.org


rules_default.txt - default catalog loading rules

rules_blaster.txt - during upload and DOCK Blaster, we are more tolerant of ligands since they bind

rules_yuck.txt - "yuck" rules for undesirables

rules_yuck1.txt - "yuck1" rules for undesirables

Editorial comment: we do not endorse either set of yuck rules. 
They are provided merely as a convenience to users.
Many perfectly good actives and over 1/2 of purchasable chemistry are filtered out by these rules.
caveat lector, emptor, and downloader


Many thanks to David M. Lorber for filtering script and our colleagues at drug companies for advice.
As always at docking.org, the sole responsibility for any errors is John Irwin's.