Fred.
> Message du 17/07/10 03:37
> De : "hongjunyu"
> A : CCP4BB@JISCMAIL.AC.UK
> Copie à :
> Objet : Re: [ccp4bb] problem with CNS bgroup refinement
>
>
> Dear Fred. and Martyn:
> Thank you for your replies. I am new to CNS and I just followed the CNS
>
Hi,
at 2A resolution you do not need to do group B refinement.
You might find this helpful in understanding some things about B-factor
refinement (pages 24-31):
http://www.phenix-online.org/newsletter/CCN_2010_07.pdf
Pavel.
On 7/16/10 6:30 PM, hongjunyu wrote:
> Dear Fred. and Martyn:
> Than
Dear Fred. and Martyn:
Thank you for your replies. I am new to CNS and I just followed the CNS
website protocols. I got your ideas. Since my resolution is 2A, I should skip
the bgroup refinement.
Hongjun Yu
The problem is the unrestrained nature of the grouped b-factor
refinement itself. Read this thread
http://www.mail-archive.com/ccp4bb@jiscmail.ac.uk/msg14133.html
In a nutshell, just stick with (properly wighted) individual B-factors.
On Fri, 2010-07-16 at 10:57 -0400, hongjunyu wrote:
> Hi，
>
Hi，
I am using CNS to refine the structure.But when I come to bgroup refinement,
the
produced bgroup.pdb have many residues with very high B factor. I read the
bgroup.inp, and found the item‘B-factor groups'with following description:
{* select atoms in group 1 - protein mainchain example *}
{==
