params_list

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    • July 9, 2013 at 2:19 pm #1641
      Anonymous

        The following lines from the manual are giving me problems.

        >>> params_list = Vector1(‘ATP.params’)
        >>> res_set=generate_nonstandard_residue_set(params_list)

        This results in an error
        ERROR: Cannot find file ‘A’
        ERROR:: Exit from: src/core/chemical/residue_io.cc line: 147
        RuntimeError: unidentifiable C++ exception

        If I rename ATP.params to A, and put it in my home directory it finds it.
        It looks like a miscommunication passing the string.

      • July 9, 2013 at 2:56 pm #9017
        Anonymous

          This is just a syntax thing. You need to pass a list to Vector1(), so it should be:
          >>> params_list = Vector1()

          with brackets.

          Since you didn’t use brackets, it interprets the whole string as a list of characters; hence it looking for a file called “A”.

          Let us know if this still does not work.

        • July 9, 2013 at 2:58 pm #9018
          Anonymous

            Try using an explicit Vector1_string and making sure you are passing it a list:

            params_paths = utility.vector1_string()
            params_paths.extend(list(params.keys()))
            residuetypeset = generate_nonstandard_residue_set(params_paths)

          • July 10, 2013 at 3:54 pm #9023
            Anonymous

              Vector1()

              That did it, thanks.

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