Hi,
Well, I guess one shouldn't change versions of refmac in the middle
of a structure refinement. What are the major differences between .
0034 and .0066 ? I noted that form factors for the Se atom have
changed dramatically even though I'm using the same " anom formfactor
SE -8.13 5.05 " command. Is this because the program is now using
the wavelength on the .MTZ file ?
with .0034:
SE 8.8706 2.4098 5.8196 0.2726 3.9731 15.2372
4.3543 43.8163 2.8409
with .0066:
SE 8.8706 2.4098 5.8196 0.2726 3.9731 15.2372
4.3543 43.8163 2.8409
The other major difference is that explicit weight that I was using =
0.25 is weighting the geometry much more in .0066 compared with .
0034. Also the refinement is not as well behaved as it was in 0.0034.
What has really changed?
Mark
_________________________________
Mark A. Saper, Ph.D.
Associate Professor, Biophysics and Department of Biological Chemistry
University of Michigan
3040 Chemistry Building
930 N University Ave
Ann Arbor MI 48109-1055
[EMAIL PROTECTED] phone (734) 764-3353 fax (734)
764-3323 Research summary
