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
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
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