Another software to use is Theseus, which does very good maximum
likelihood superpositions, and you can get the PCA for free, same as
CA rmsd lists, the NxN matrix with differences, an "average" model
with pseudo-B-factors, etc. Personally I use Rapido/ESCET and Theseus,
depending on the qu
Hi Jacob,
> I am looking at ~20 unique crystal structures of the same protein in somewhat
> different conformations, although not radically different, and would like to
> order them somehow to gain an understanding of how the protein can move. Is
> there software that does this somewhat automatica
Date:Thu, 29 Apr 2010 12:18:38 -0500
From:Jacob Keller
Subject: Understanding Conformational Differences
Dear Crystallographers,
I am looking at ~20 unique crystal structures of the same protein in
somewhat different conformations, although not radically different,
and
would like to or
Hi Jacob,
please have a look at the program ESCET from Thomas
Schneider, which I have used to look at changes in over
hundred structures of kinases upon ligand binding.
cheers
Stefan
On Thu, 29 Apr 2010 12:18:38 -0500
Jacob Keller wrote:
> Dear Crystallographers,
>
> I am looking at ~20 uni
Dear Crystallographers,
I am looking at ~20 unique crystal structures of the same protein in
somewhat different conformations, although not radically different, and
would like to order them somehow to gain an understanding of how the protein
can move. Is there software that does this somewhat
