ddg monomer vs pmut scan

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    • #1845


        I’d like to predict effect of a mutation on a protein stability. I found two different applications – ddg monomer and pmut scan and I’d like to ask what is the difference between them? Are there any applications where one of them is better to use?


      • #9858

          ddg_monomer is the better choice here as it does basically what you want. pmut_scan is meant for brute-force, broad exploration of mutation-space to generate footholds for new designs, and is a fair bit less rigorous (to trade for speed).

        • #9872

            thanks, ddg_monomer works really well. But pmut_scan looks also usefull for some basic analysis. Is it possible to output all energy values (and not only those predicted as stabilizing)?

          • #9873

              Use the -DDG_cutoff flag, and pass an absurdly large positive value, like -DDG_cutoff 1000000000000. This will effectively disable the filtering by printing all mutations that have DDGs less than a trillion (which is either all of them, of all of them except a few super huge clashes).

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