No output with docking full protocol

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    • #2433
      Anonymous

        Hello everyone,

        I’m trying to dock a protein with an ssDNA using the full protocol flags :

        -s protein_ssDNA.pdb

        -partners A_H

        -database /home/useradmin/Rosetta/main/database/

        -ex1

        -ex2aro

         

        But, I obtain the message error :

        protocols.docking.DockingProtocol:  Scoretype: interchain_contact score: 12, cutoff: 9.99

        protocols.docking.DockingProtocol:  Scoretype: interchain_vdw score: 0, cutoff: 1

        protocols.jd2.FileSystemJobDistributor: Too many retries (max_retry_job = 10)

        protocols.jd2.JobDistributor: HBsAg_Aptamer_0001_0001 reported failure and will retry

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

        protocols.jd2.JobDistributor: 1 jobs considered, 11 jobs attempted in 68 seconds

        Can anyone know the solution to overpass this problem and realize the docking protocol protein/ssDNA ?

        Best regards

      • #11664
        Anonymous

          Answered in https://www.rosettacommons.org/content/no-output-pdb-files-after-docking-protein-and-dnarna

          Briefly, you can’t, as RosettaDock low resolution doesn’t recognize protein/nucleic acid interactions. You can do full atom refinement, but no global searching.

          There’s work in progress to change this, but nothing in a usable state, as of yet.

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