Dear all,
We are currently recruiting for a Post-Doctoral Research Associate within the
XChem/I04-1 team at Diamond Light Source to drive high-throughput fragment
screening experiments and structural biology support for hit-to-lead
development as part of our NIH-funded Anti-Viral Drug Discovery
Dear Stuart,
Thank you very much for your prompt and helpful response. I apologize for my
delayed reply. Your guidance offered a solid foundation, enabling me to
successfully implement the procedures you suggested. However, I've encountered
additional challenges that were not resolved. Specific
Dear Marius,
it looks like you didn't receive an answer, yet. It would be easy in
SHELXL. You may convert the PDB file to the starting instruction
filewith PDB2INS.
Fixing any parameter is done by adding 10 to it, i.e. you can simply
run awk on the ins-file to fix x,y,z and Uiso for structure 1,
Dear Justin,
Would it be possible for you to send off-list the report_staraniso.pdf
file created by your autoPROC job (or the job number of your STARANISO
submission if you used the server) so that we can examine the pattern of
data incompleteness indicated by the plots?
This would be
That is extremely likely! - certainly REFMAC will do that..
If 5% missing using DFcalc is a good thing - if 35% is missing not wise..
Eleanor
On Mon, 4 Mar 2024 at 07:53, Ben Bax wrote:
>
> Fcalc maps look fantastic. Are you sure they were not using an Fcalc for
> the missing 35% of the data?
>
