To: Help and discussion for users of IMP <>, Altair Hernández <>
Subject: Re: [IMP-users] REX score
From: Ben Webb <>
Date: Mon, 20 Sep 2021 11:55:16 -0700
On 9/14/21 1:56 AM, Altair Hernández wrote:
- Can the file *best.scores.rex.py* be
redirected to a desired folder
That file is used for different IMP processes to swap replica
information; it's not really intended for any other purpose.
Or, is there any way to retrieve the IMP score from a ReplicaExchange
object?
The place to get scores - or any other statistics about a PMI sampling
run - is the stat file. It's a simple text format file. The total score
for a given model is in the Total_Score attribute.
Ben
--
https://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
- Sir Arthur Conan Doyle