ab initio with restraint

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    • August 29, 2008 at 1:42 am #292
      kortemme
      Participant

        Dear developers,
        I would like to make an ab initio model running Rosetta under a disulfide-bonding restraint.

        I typed the following command line:

        ./rosetta.gcc -design -series aa -protein VHBX -chain _ -s VHBX.pdb -fix_disulf conss.txt -resfile res -ndruns 2000 pdbout test1>& log

        I found the error message

        Error score_disulf_cendist, tempdist = 0
        > ERROR: Exit from:disulfides.cc line:3160

        If any one of you can help me; please, tell me how to do it correctly.

        With many thanks,
        best regards,
        Elin Teppa.

      • September 2, 2008 at 2:15 pm #4008
        Anonymous

          which version are you using? and what is the content in the conss.txt?

          Looks like the disulf file does not correct.

          > Dear developers,
          > I would like to make an ab initio model running Rosetta under a disulfide-bonding restraint.
          >
          > I typed the following command line:
          >
          > ./rosetta.gcc -design -series aa -protein VHBX -chain _ -s VHBX.pdb -fix_disulf conss.txt -resfile res -ndruns 2000 pdbout test1>& log
          >
          > I found the error message
          >
          > Error score_disulf_cendist, tempdist = 0
          > > ERROR: Exit from:disulfides.cc line:3160
          >
          > If any one of you can help me; please, tell me how to do it correctly.
          >
          > With many thanks,
          > best regards,
          > Elin Teppa.

        • September 5, 2008 at 2:52 pm #4012
          kortemme
          Participant

            I use Rosetta Version 2.3.0
            Disulf file, conss.txt:

            ” 2 6n”

            ” 3 7n”

            ” 4 8n”

            ” 5 9n”

            Thank you very much.

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