Re: [ccp4bb] B-factor standardization

2018-04-05 Thread Pavel Afonine
> If I am not wrong, I remember that someone proposed to standardize > B-factors of protein atoms as “BS = B - Bave”, where Bave is the average > B-factor of the protein. This will make some of BS negative (if B

Re: [ccp4bb] B-factor standardization

2018-04-05 Thread John R Helliwell
Dear Oliviero, On one aspect of your query, this analysis dissected the different sources of disorder contributions to B factors:- Diamond, R Acta Cryst (1990). *A46*, 425-435 All best wishes, John On Thu, Apr 5, 2018 at 2:49 PM, Oliviero Carugo < oliviero.car...@univie.ac.at> wrote: > Dears, >

Re: [ccp4bb] B-factor standardization

2018-04-05 Thread Ethan Merritt
On Thursday, 05 April 2018 15:49:44 Oliviero Carugo wrote: > Dears, > > everybody knows that B-factors may change amongst different crystal > structures and that they need to be standardized when different protein > crystal structures are compared. > > If I am not wrong, I remember that

Re: [ccp4bb] B-factor standardization

2018-04-05 Thread Daniel M. Himmel, Ph. D.
Oliviero, We published a paper in 2003 in which we normalized B-factors to do a comparison of relative mobility or flexibility. The reference is: Gourinath et al. Structure 11:1621-1627 (2003). The jargon we used for Bave of the protein is . In our case, to be conservative in our

[ccp4bb] B-factor standardization

2018-04-05 Thread Oliviero Carugo
Dears, everybody knows that B-factors may change amongst different crystal structures and that they need to be standardized when different protein crystal structures are compared. If I am not wrong, I remember that someone proposed to standardize B-factors of protein atoms as “BS = B -