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 Universit
inement of heavy atoms using SOLVE or SHARP or others
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
i
Hmm - I can give you scripts to use SHELX?
Eleanor
On Wed, 11 Oct 2023 at 11:02, fuxingke 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
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
