Help with for PDB file cleaning

Member Site Forums Rosetta 3 Rosetta 3 – General Help with for PDB file cleaning

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    • #844

        Hi, I am following the suggestion from one of the posts here to use to clean up my PDB files. However, I always got the error message:

        Traceback (most recent call last):
        File “/usr/local/rosetta3.2/rosetta_source/src/python/apps/public/”, line 69, in ?
        assert( len(argv)>2)

        Did I do something incorrectly? Thanks in advance for any kind help!

      • #5245

          I know nothing about specifically.

          Speaking from knowledge of python, the error “len(argv)>2” implies that the code expects to have no greater than two arguments. How many arguments are you giving it…?

        • #5264

            It’s working now with the option -ignorechain and with fresh pdb files downloaded from PDB. Interestingly, it still does not work on my old pdb files, which have been slightly modified by me previously. Thank you very much for the help!!

          • #5272

              Hi lzx32,

              For some reason, the script from the Meiler lab has some peculiarities. For instance, if the protein has been already clean, or is a state that it can not be cleaned, the script will crash out.

              Steven C.

            • #5248

                … actually, it’s the other way around. “assert( len(argv)>2)” is the line which is raising the AssertionError, and the assertion error is raised because the thing passed to assert is false. That is, len(argv) is not greater than two – the code expect to have two or more command line parameters (one of the entries in argv is the script name).

                Specifically, it looks like the script expects the first command line parameter to be the pdb name, and the second to be the chain ID. Parameters 3 and up can include ‘-nopdbout’, ‘-nochain’ and ‘-ignorechain’ (it looks like anything else is ignored). Flags have to be at position 3+; putting the option flags before the pdb name and chain ID will not work.

              • #5251

                  greater than, less than…it’s too early in the week for that.

                • #6355

                    I am unable to locate the file in my rosetta_source directory, currently I am using rosetta 3.3. Please tell me where I woud find the same file for cleaning my structures?

                  • #6376
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