Many thanks for this and the specific note on blind docking.
I’m not sure where to find those scripts referred in that web page (and I’m not good with scripts either!). I’ve done sorting with the I-sc values. What I’d like to be able to do is extract the top 200 pdb files from my output directory into a new directory and cluster them. Is there a way to do this? or can the cluster app do this in one go . i.e. pick the top 200 based on I-sc and output the corresponding pdbs to a new dir?
Thanks for the help.