On 1/12/21 2:45 PM, Tiglath Moradkhan wrote: > I have a question about objective function scores. Why is it that lower > objective function scores are indicative of better models. I've searched > online for how objective function scores are computed but the > explanation is too technical and I would be very grateful if you could > provide a much simpler explanation of the objective function score.
The objective function quantifies how far the current conformation of your model is from that implied by your template and known stereochemistry. Lower values better satisfy the restraints, but are not necessarily "better" models (e.g. because the restraints are derived from the template, not the true, unknown, structure). The individual terms are described in the 1993 JMB Modeller paper.
Ben Webb, Modeller Caretaker