HI Armando,
The “Ensemblator” (available on Github at
https://github.com/Karplus-Lab-OSU/ensemblator ) is a program we published back
in 2017 that aligns structures and clusters them.
Furthermore, the main purpose of the program and what I think is most unique
about it, is that given two sets
HI Pavel and all,
I’m not sure if this is what you were thinking of, but we published in 2016 a
rather dramatic example showing how a series of reliably determined extreme
phi,psi outliers document how the strain-energy associated with adopting the
phi,psi angles is distributed between an extre
HI Robbie and all,
Here is further recent analysis regarding the geometry of Arg side chains and
recommendations for restraints:
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7709202/
Best, Andy
[Black Lives Matter]
Dr. P. Andrew Karplus (he, him, his)
Distinguished Professor of Biochemistry a
