Along you can consider also using MolProbity online.
Best,
Nadir
Pr. Nadir T. Mrabet
Structural& Molecular Biochemistry
Nutrigenex - INSERM U-954
Nancy University, School of Medicine
9, Avenue de la Foret de Haye, BP 184
54505 Vandoeuvre-les-Nancy Cedex
France
Phone: +33 (0)3.83.68.32.73
Fax: +33 (0)3.83.68.32.79
E-mail: Nadir.Mrabet<at> medecine.uhp-nancy.fr
Cell.: +33 (0)6.11.35.69.09
On 09/12/2011 06:52, Robbie Joosten wrote:
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: [email protected]
Subject: [ccp4bb] How to assess geometry in a model?
To: [email protected]
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
