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
Hi,
SHARP and autoSHARP are manually run using the Sushi interface, which is not
the easiest thing to set up. For straightforward heavy atom refinement, you can
run both SHARP and autoSHARP on the command line. If you are familiar with
SHARP’s input files and parameters, instructions can be
Hi all,
When I run a new job on CCP4i2, the job finishes and output files are produced
however the results are not correctly displayed. I noticed this after updating
to 8.0.016 but the problem persists when I rolled the update back to the last
stable build on my machine, 8.0.009. Previous jobs
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
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
