Residue_energy_breakdown utility

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    • #1203

        I am planning to analyze residue interactions using residue_energy_breakdown utility as written in the documentation. However I could not find “residue_energy_breakdown” command in rosetta_source/bin.

        I’ve built Rosetta3.3 in RedHat 5.4 by “scons bin mode=release” and build seemed to be finished without any problem.
        Should I do any other things to use residue_energy_breakdown?

        Thank you,

      • #6813

          The residue_energy_breakdown utility is still sort of in the pre-release pilot stage (and to this point I really wasn’t planning on making it ready for the upcoming 3.4 release). The source code is not included in the 3.3 release. While I did write up a documentation page for it, I didn’t really intend for it to get included in the official manual. (By the way, how did you come across the documentation page – it wasn’t linked through the documentation homepage, was it?)

          There’s two options if you want similar functionality. One is to use the (undocumented, but should be available through the 3.3 release) ScoreCutoffFilter filter in RosettaScripts, with report_residue_pair_energies set to 1 (i.e. something like ) – this should dump similar information to the tracer output.

          The other is to contact me (click the envelope icon to the left), and I can send you the source for residue_energy_breakdown on an unoffical/pre-release basis.

        • #6814

            Somehow the trunk manual has gotten crosslinked to the 3.3 manual, so people are seeing all sorts of prerelease stuff…

          • #6819

              Thank you for the information.

              When I was searching how to write each energy term, I found the documentation page accidentally and I thought the utility was available.
              I’ll try RosettaScipts.

              Thanks a lot.

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