[phenixbb] Anisotropic scale matrix in phenix.refine

[Pavel Afonine]

Alex,

as of April this year we are using a more advanced protocol for overall 
scaling, and novel bulk-solvent modeling. For details please see:

http://www.phenix-online.org/presentations/PhenixSantaFe2012_PA.pdf

Let me know if you have any questions or need further clarification.

Pavel

On 9/12/12 9:50 AM, Alex Taylor wrote:
> Hi,
>
> The anisotropic scaling information is missing from the phenix.refine 
> output PDB header after version 1.8.
> I found the following in the log file:
>
> overall anisotropic scale matrix:
>       V0: 1.1031,2.2631,-1.0809,-1.3907,-1.6249,0.8087
>       V1: 0.0031,0.0031,-0.0454,0.0150,0.0261,-0.0080
>
> Does the V0 line list the B11,B22,B33,B12,B13,B23 matrix elements in 
> the same way as the following lines from a version 1.7 log file?
>
> | overall anisotropic scale matrix (Cartesian basis; 
> B11,B22,B33,B12,B13,B23):|
> | (-5.17,-8.53,18.68,-0.00,0.00,0.00); trace/3= 
> 1.66                          |
>
> Thanks,
>
> Alex
> -- 
> Alex Taylor, Ph.D.
> Technical Director, X-ray Crystallography Core Laboratory
> University of Texas Health Science Center at San Antonio
> Office: 210-567-3781 FAX: 210-567-6595
> WWW:http://xray.uthscsa.edu   http://hartlab.uthscsa.edu
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