Score function: unable to open input_files/1qys.pdb

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  • This topic has 1 reply, 2 voices, and was last updated 4 years ago by Anonymous.
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    • #3600
      Anonymous

        Hello all, 

        I am new to rosetta trying to follow the tutorials on line. I am currently working on with the mac binaries on MacOS mojave

        Seems I cannot generate a score file in the working directory.

        the following input is being done within source directory

        INPUT: $ROSETTA3/bin/score_jd2.default.macosclangrelease -in:file:s input_files/1qys.pdb

         

        Error:

        ERROR: Cannot open file “input_files/1qys.pdb”

        ERROR:: Exit from: src/core/import_pose/import_pose.cc line: 362

        Error: [ ERROR ] ERROR: Exception caught by JobDistributor while trying to get pose from job ‘1qys_0001’

        Error: [ ERROR ] Treating failure as bad input; canceling similar jobs

         

        [ ERROR ]: Caught exception:

         

         

        File: src/core/import_pose/import_pose.cc:362

        [ ERROR ] UtilityExitException

        ERROR: Cannot open file “input_files/1qys.pdb”

         

        thanks all,

        Cyrrus

      • #15553
        Anonymous

          Rosetta will look for files based on the current working directory. My off-the-cuff guess is that your current working directory does not have an input_files directory, or if it does, it’s missing the 1qys.pdb file.

          If you do an `ls input_files/1qys.pdb` in the same directory you launched your score_jd2  is it able to find the file? If not, you’ll either have to run Rosetta from a directory where it is present, or copy over the files from where they are to your working directory.

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