Relax both peptide and ligands

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    • #3000
      Anonymous

        Quick question: It is impossible with the normal Relax application to relax both the peptide chain and ligand(s), right?

        Every time I have done a relax with a ligand, the ligand has not “wobbled” at all. So I currently relaxing the apostructure, add the ligand and use ligand_dock recursively for the ligands. (I know I ought to be using a tidy Rosetta script as opposed to an overly byzantine bash script that relies on a depracated application)

      • #14424
        Anonymous

          Tell relax to sample the jump.  IDK what the flag is.  -relax:jump_move true?

          • #14425
            Anonymous

              -no_jumps false

              Great! In Relax? I have used it only on Remodel runs and there it is a lifesaver when stuff makes no sense. Thanks 

            • #14426
              Anonymous

                It’s in the relax namespace so I can only assume relax obeys it.

                 

                There is no way to know what code obeys what option other than running it and seeing if it worked (or laboriously reading the code).  You can use -show_accessed_options to determine if an option’s value was ever checked, which is a partial solution.

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