On 3/2/12 9:59 AM, albert wrote:
As far as we know the lower DOPE score, the better model. I am wondering how about the PDF score? also the lower score, the better model? eg: model A PDF=200 is better than model B PDF score=300.
The molecular PDF is simply the sum of restraint violations. So the lower the PDF, the less the restraints are violated. This typically means a good model, assuming that the restraints are an accurate description of reality (assessment scores such as DOPE are typically more reliable).
Ben Webb, Modeller Caretaker
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