Hi Mark
I used to do followings: Run 0 cycle of refmac with aniso refinement
and then take aniso cards for atoms I want to refine aniso and put in
the relevant position of the
original pdb file. After that I would do mixed refinement.
I should warn that I have not tested this option for a long time and
do not know if it works fine or not. Please let me know your results.
If it does not work then
I will reactivate this option.
regards and merry Xmas
Garib
On 24 Dec 2007, at 22:14, Mark A Saper wrote:
Hi all,
I hope everyone is having a nice holiday break. I want to refine
the B's anisotropically of only the selenium atoms. Does BREF
MIXED option work in REFMAC? Do I need to pre-calculate the ANISOU
parameters or can I just enter a blank ANISOU card?
Thanks,
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
