Hi James,
You can do this with MOLEMAN / MOLEMAN2 quite easily (see the manual here:
http://xray.bmc.uu.se/usf/moleman2_man.html)
Best
Matthias
Date: Thu, 10 Mar 2011 14:19:21 +0000
From: james.pearce.h...@gmail.com
Subject: [ccp4bb] Reporting average B values for solvent, chain, ligand etc
To: CCP4BB@JISCMAIL.AC.UK
Dear CCP4BB
I have been refining a structure in Refmac and I would like to report an
average B value for the solvent, ligand and DNA chain seperatly. However, I
cant this information in the Refmac log or .pdb file. Is there a program/option
I can use to calculate the B factors for parts of the model?
Thanks
James Hall
PhD Student
University of Reading
