how to score a pdb in rosetta 2.3

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    • July 17, 2012 at 3:42 pm #1348
      Anonymous

        Dear ALL,
        I try to score a structure using rosetta2.3(with full atoms but don’t need repack, just evaluate the structure). I found 4 ways to evaluate the structure in rosetta 2.3

        0.1 score a structure without providing its native in fullatom mode

        0.2 score a structure with providing its native in fullatom mode and repacking its sidechains

        0.3 score a list of structure

        0.4 score with termini residues

        None of them can evaluate the full atom structure without packing. Is that any way for me to evaluation the structure? Thank you!

      • July 17, 2012 at 4:16 pm #7415
        Anonymous

          2.3 is ancient, so most of us have forgotten how to use it – but off the top of my head, I would suggest allowing it do to the packing, but passing a resfile that says “NATRO” for all lines. I am positive there is a simpler, apparently poorly documented way to do this…but I’m also pretty sure an all-NATRO resfile will work.

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