Compiling Rosetta with APBS

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    • February 17, 2020 at 4:07 pm #3350
      Anonymous

        Hello everyone,

        I would like to ask what is the right procedure to compile Rosetta 3.10 with APBS to use the SetupPoissonBoltzmannPotential mover.

        As said in the SetupPoissonBoltzmannPotential manual page, I should follow the intructions found in found in /path/to/rosetta/rosetta_source/external/apbs/apbs-1.4-rosetta/README . The problem is that this directory is actually not present in newer versions of Rosetta.

         

        So, it is not compatible anymore with APBS? Or there is another way to proceed the installation?

        Thanks,

        Danilo.

      • February 17, 2020 at 4:44 pm #15155
        Anonymous

          The APBS code really hasn’t been actively used by anyone for over 7 years now.  There were also issues with it which means we removed it from the Rosetta codebase about 3 years ago.

          You can certainly try to put something together with a version of APBS you download on your own and the compilation instructions from an older version of Rosetta, but it’s not something which the Rosetta developer community regularly does or tests. You’re likely going to run into quite a few issues you’ll need to debug in order to get it to work.

           

          • February 17, 2020 at 6:31 pm #15156
            Anonymous

              Thank you Moretti.

              For now I will then use the energy binding tools hardcoded from Rosetta itself.

              Best,

              Danilo.

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