I am currently using enzdes to design non-enzymatic protein-ligand interfaces. When invoking this protocol, I have been struggling to generate both silent output files and score files that contain the full array of metrics (scorefiles that contain the SR* columns). From what I have read online, the -out::file::o <filename> option is required to generate the SR* metrics. However, when this is invoked, the ouput structures are pdb files and not silent files, and I do not have the space to output pdbs on large scale runs. Additionally, if I do not provide this option, I receive the silent file, but the score file does not contain the SR* columns and this warning is printed:
WARNING: The following options have been set, but have not yet been used:
Is there a way I can both generate silent files and score files with SR* metrics? I believe it requires having the -jd2:enzdes_out option invoked without invoking -out::file::o <filename>, but I have not found a way to do this. I have attached two log files and a combined score file. Files/scores with the extention _devNull are from a run where a silent file and incomplete scorefile were generated. Files/scores with the extention _devNullnoSilent are from a run where a pdb and complete scorefile were generated.
Any insight into this would be greatly appreciated.