Hi Matt,
WHAT_CHECK writes out a file called check.db that contains per-residue scores
for several quality metrics. It is fairly easy to parse.
Cheers,
Robbie
Date: Thu, 8 Dec 2011 23:08:45 -0500
From: mattw...@gmail.com
Subject: [ccp4bb] How to assess geometry in a model?
To: CCP4BB@JISCMAIL.AC.UK
Hi Folks
I'm looking for a way to score each atom (or residue) in a model based on it's
geometry. I know these scores exists because various software packages speak
of outliers, even including a sigma value in some cases.
So I'm looking for a simple way to get a complete list (not just outliers).
Does anyone know of a package that can be made to output these scores?
Thanks,
Matt
