To: Help and discussion for users of IMP <>, Andrea Graziadei <>
Subject: Re: [IMP-users] weights testing
From: Ben Webb <>
Date: Fri, 26 Apr 2019 15:41:14 -0700
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