[phenixbb] Anisotropic scale matrix in phenix.refine
pafonine at lbl.gov
Wed Sep 12 22:05:19 PDT 2012
as of April this year we are using a more advanced protocol for overall
scaling, and novel bulk-solvent modeling. For details please see:
Let me know if you have any questions or need further clarification.
On 9/12/12 9:50 AM, Alex Taylor wrote:
> 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;
> | (-5.17,-8.53,18.68,-0.00,0.00,0.00); trace/3=
> 1.66 |
> 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
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the phenixbb