Can I reduce the amount of output produced by GOLD?

Modified on Thu, 1 Aug, 2024 at 10:58 AM

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.

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