Re: [IMP-users] Precision for systems with fixed bodies
To: Help and discussion for users of IMP <>, Atefeh Rafiei <>
Subject: Re: [IMP-users] Precision for systems with fixed bodies
From: Ben Webb <>
Date: Tue, 13 Oct 2020 13:47:11 -0700
On 9/25/20 3:13 PM, Atefeh Rafiei wrote:
I am wondering if the precision calculations (for
structural clusters) presented in the analysis workflow (from PMI
analysis repository on GitHub), will calculate precision for all
components of the modeling system including the fixed rigid bodies?
The shortest answer here is that you can't calculate sampling precision
for something you didn't sample. So if your rigid bodies were not moved
during the sampling, you should exclude them from the precision
calculation, otherwise you'll get overly optimistic estimates for the
precision.
The longer answer would depend on why you're fixing the rigid bodies in
the first place.
Ben
--
https://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
- Sir Arthur Conan Doyle