[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [IMP-users] weights testing



On 4/26/19 3:40 AM, Andrea Graziadei wrote:
I am continuing to working with IMP/PMI for integrative modeling of a protein complex using EM and crosslinking information. Ultimately, as in the tutorial, I have 4 sets of restraints: excluded volume, connectivity, crosslinks and gaussian.

I would like to explore what weights to set.

Generally it shouldn't be necessary to modify the weights, except for possibly the EM restraint. There thus isn't really a protocol for optimizing the weights. Ideally each restraint would be Bayesian in nature such that weights are entirely unnecessary, although this isn't yet the case for EM.

	Ben
--
                      https://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
	- Sir Arthur Conan Doyle