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Specifying disulfide bonds

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Specifying disulfide bonds

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.


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Thu, 2010-12-02 10:38

It seems my question is similar to this.

Thu, 2010-12-02 13:46