Hi Doug,
I am having issues with removing duplicates from my LIDAEUS run, I've tried it twice and had the same problem.
After I use ~douglas/scripts/docking/sdfgrep.ksh -r, I seem to only have two compounds left out of a output.sdf file that was really large. This part did take hours to run.
The contents of my list.txt file is tiny.
Should I retry the LIDAEUS run and increase the number of results kept?