Hi,
If you're using Sharp for phasing, it'll refine the positions and occupancies
of the heavy atoms that Shelx has picked up in the first stage. I used Sharp a
long time ago but I'm pretty sure it still works that way.
My 2p.
Boaz
Boaz Shaanan, Ph.D.
Dept. of Life Sciences
Ben Gurion University
Beer Sheva, Israel
On Oct 11, 2023 13:02, fuxingke <fuxingke0...@163.com> wrote:
Dear Colleagues,
Reacently, for SAD experiment, I find SOLVE and SHARP can refine the
variables of heavy atoms, such as occupancies, coordinates and thermal
parameters. But how to use SOLVE and SHARP to refine heavy atom in command line
in linux? I don't find a script to do it.
Who has the scripts template that implements the refinement of heavy atoms
using SOLVE or SHARP or others? Could you please share them with me?
Regards
Best wishes,
Fu Xingke
Institute of Physics CAS
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