• Script to merge GOLD docking results

    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.