This is a script to merge a set of GOLD docking runs into single of results file. This script was designed to be used in cases where you start with a single .conf file and then generate a set of new .conf files with start_at_ligand and finish_at_ligand options to split the docking job into multiple runs. There are a few caveats:

  1. The dockings must all have been run with the same scoring function.
  2. One of the built-in scoring functions (chemplp, goldscore, chemscore, or asp) must have been used.
  3. The final set of merged ligands (if the option is selected) will not be sorted

Using the -h or --help option will display a usage message.

I have a few issues with this script, is someone still abut that could lend a hand?

Hi Jordan,

what problems are you having with the script?

Best wishes


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