Hi everyone,
I am trying to show that a ligand underwent catalysis during a soaking
experiment.
One of the things I would like to show is the geometry of the ligand, bond
angles/lengths, dihedrals, etc...
One of my models has a hi-res of 1.18A and the ligand density is really clear
and complete.
What is the best way to refine the ligand unrestrained and then generate
measurements?
Also, the idea is to finally compare to ideal geometry. How should I generate
these values (any softwares in mind)?
ANy idea is welcome.
Thanks a lot
