input secondary structure prediction to AbinitioRelax

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    • #650
      Anonymous

        Hi,

        how do you give/provide a secondary structure prediction to AbinitioRelax.linuxgccrelease? it is not obvious from online manual nor “-help” command option.

        Thanks!

      • #4566
        Anonymous

          > Hi,
          >
          > how do you give/provide a secondary structure prediction to AbinitioRelax.linuxgccrelease? it is not obvious from online manual nor “-help” command option.
          >
          > Thanks!

          This command line flag is used to provide a prediction during AbinitioRelax, but its only used for some of the filters.

          -in::file::psipred_ss2 psipred_ss2 file

          The secondary structure prediction is primarily used to generate the fragments, and the fragments themselves are responsible for enforcing that prediction.

        • #4568
          Anonymous

            Thanks,

            so it doesn’t make much difference if I include the SS info to AbinitioRelax or not…

            As you say, this is taken care of when building the fragment library then.

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