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