PIPER-FlexPepDock protocol file apply_ftresult.py missing

Member Site Forums Rosetta 3 Rosetta 3 – General PIPER-FlexPepDock protocol file apply_ftresult.py missing

  • This topic has 2 replies, 2 voices, and was last updated 3 years ago by Anonymous.
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    • #3863
      Anonymous

        Hello,

        I’ve been trying to run the PIPER-FlexPepDock pipeline in both ways, following the steps in the documentation page (https://www.rosettacommons.org/docs/latest/application_documentation/docking/flex-pep-dock), and using the scripts in the “tools/peptide docking” folder. But both cases need the script “apply_ftresults.py” which doesn’t exist in the source. Where can I get this script or any equivalent?

        Thank you in advance.

      • #16055
        Anonymous

          Hello Mariela,

          Some further details would be appreciated-

          Are you trying to run the full rosetta protocol using one of the binaries like 


          FlexPepDocking.{ext}.{distribution/compiler}release

          Such as FlexPepDocking.mpi.linuxgccrelease, or a mac binary, etc.?

          Using any of these binaries should not rely on any external scripts, python or otherwise.

           

          The scripts under tools/peptide_docking are for running another protocol called PIPER-FlexPepDock, and assumes you have the PIPER software (by schrodinger) installed and licensed.

          You can see the full instructions for running the protocol in the README file located in the ‘peptide_docking’ folder you mentioned.

          Please note that the address to download PIPER has changed and it can be found here:

          https://www.schrodinger.com/products/piper

           

          I hope this helps!

        • #16068
          Anonymous

            Hi zivben,

            Thanks for your response!

            I’ve been trying to run the PIPER-FlexPepDock protocol. I already installed PIPER from the older version (ClusPro) and from Schrödinger after your suggestion. Until now, I managed to run the Rosetta protocol as in https://www.rosettacommons.org/docs/latest/application_documentation/docking/flex-pep-dock until  Step II: Running PIPER FFT docking, so PIPER is working. But in the next step (Step III: Top scoring 250 PIPER models are extracted) it needed the script “apply_ftresult.py”  that is absent in both versions of PIPER installed.

            Could you help me with this script?

            Best regards.

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