Fast relax not working

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    • April 21, 2017 at 1:06 pm #2643
      Anonymous

        Hi I have not used Rosetta for a while.  i wanted to relax my receptor for enzyme design and i kept on having the message

        Evaluation Creator active … 

        protocols.relax.FastRelax: WARNING: Pose has no residues. Doing a FastRelax would be pointless. Skipping.

        protocols.jd2.JobDistributor: S_0001 reported success in 0 seconds

        protocols.jd2.JobDistributor: no more batches to process… 

        protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs att

        here is my flag file

        -s ligand.pdb   #-s your_structure.pdb

        -database /Applications/rosetta_src_2015.05.57576_bundle/main/database

        -relax:constrain_relax_to_start_coords 

        -use_input_sc

        -out:nstruct 5

        -relax:fast

        -score:weights talaris2013_cst

         

        Command line

        /Applications/rosetta_src_2015.05.57576_bundle/main/source/bin/relax.default.macosclangrelease.

         

        It used to work before, dont know why it does not work now.

      • April 21, 2017 at 2:41 pm #12307
        Anonymous

          It looks like you forgot to put the reference to the options file on the Rosetta command line.  Rosetta does not auto-load any options files, if you’re using them, you have to manually specify them on the commandline with the ‘@’ syntax. E.g.

                     /Applications/rosetta_src_2015.05.57576_bundle/main/source/bin/relax.default.macosclangrelease  @options.txt

          The error messages you’re getting are consistent with not passing any input options, which would be the case if the options file isn’t being read.

        • April 21, 2017 at 2:41 pm #12828
          Anonymous

            It looks like you forgot to put the reference to the options file on the Rosetta command line.  Rosetta does not auto-load any options files, if you’re using them, you have to manually specify them on the commandline with the ‘@’ syntax. E.g.

                       /Applications/rosetta_src_2015.05.57576_bundle/main/source/bin/relax.default.macosclangrelease  @options.txt

            The error messages you’re getting are consistent with not passing any input options, which would be the case if the options file isn’t being read.

          • April 21, 2017 at 2:41 pm #13349
            Anonymous

              It looks like you forgot to put the reference to the options file on the Rosetta command line.  Rosetta does not auto-load any options files, if you’re using them, you have to manually specify them on the commandline with the ‘@’ syntax. E.g.

                         /Applications/rosetta_src_2015.05.57576_bundle/main/source/bin/relax.default.macosclangrelease  @options.txt

              The error messages you’re getting are consistent with not passing any input options, which would be the case if the options file isn’t being read.

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