Specifying disulfide bonds

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    • December 2, 2010 at 6:38 pm #703
      Anonymous

        I am finding that my structures generated with VMD containing disulfide bonds are not being preserved when used in PyRosetta. The sulfur atoms in the initial PDB are ~2.05 ang apart, but after a docking run they are as far as 11 ang. It seems that Rosetta automagically calculates disulfide energies–I am seeing non-zero values for “dslf_ss_*” in the .fasc output from docking, so I’m just wondering if there is something else I need to do.

        Thanks.

      • December 2, 2010 at 9:46 pm #4687
        Anonymous

          It seems my question is similar to this.

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