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Re: [modeller_usage] Ca-Ca restraints



On 4/16/20 8:41 AM, Mariana GONZALEZ MEDINA wrote:
I have observed that the more templates I include in the homology modeling the least Ca-Ca distance restraints I obtain. I can't understand this since I would expect to obtain restraints from missing residues, homology, etc from more templates and therefore more restraints imposed into my model. What could an explanation to this?

A given CA-CA distance will only have a single restraint on it, regardless of how many templates you have (although it will become multimodal). (If Modeller were simply to add restraints for each template you would end up with a model that is an average of all templates, which is not physically correct - if one template says a CA-CA distance is 10A and another says it is 20A, the distance in the model should be either 10A or 20A, not 15A.)

	Ben Webb, Modeller Caretaker
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