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Can I reduce the amount of output produced by GOLD?


Yes. Select Output Options under Global Options in the GOLD Setup interface. From here it is possible to specify whether you want to keep the files listing fitness function rankings and/or ligand log files and/or initialised ligand files. It is also possible to filter output according to fitness by: rejecting solutions with a fitness lower than a specified value, only saving the top N solutions for each ligand, and retaining only the top solution for those m ligands with the best fitness score.​

For the docking of ultra-large libraries, it is recommended to use the MIN_OUT write option, which will return only the bestranking.lst and gold.log file for each docking. All other files (including the GOLD docking poses) will not be written out.