Reply To: some application troubles when using resfile flag

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April 9, 2011 at 8:44 pm #5333
Anonymous

    I am “the guy who knows about making rotamer libraries” and unfortunately it is not possible with the 3.2 release to run the rotamer library creation protocol. Also I believe that the molfile2params.py script in the 3.2 release can only make residue type params files for LIGAND residue types and, based on your description of a cysteine with a spin label, you would need a POLYMER residue type.