Postdoctoral position in drug discovery An opening is available in the drug
discovery laboratory of Dr. Stephen Fesik for a post-doc in the field of
protein x-ray crystallography. Responsibilities will include protein
production, fragment screening by NMR, and all aspects of x-ray
Drug Discovery Scientist Position
An opening is available in the drug discovery laboratory of Dr. Stephen Fesik
for a candidate with experience in the field of protein x-ray crystallography
or NMR. Responsibilities will include protein production, fragment
Surely in this day and age, one would just run AF2? - it’s clearly the best
homology modelling program ever, finding homologies that other programs can’t
reach. I would - we are - using it to supply another “best guess” for
difficult-to-build structures. One could even use it as an input for
Dear Shawn,
I am not aware of an automated way to merge all fragments into a single
consistent peptide chain. What I would do is to look at the map and the built
fragments in coot and switch the symmetry on with a large radius, e.g. 20-30A
and see if you can find a set of fragments (including
The combination of paired refinement and anisotropy should not be a problem,
but I think there are a few catches depending on the implementation. I'll
reason from the PDB-REDO implementation of paired refinement which was made
assuming a "you get what you get" set of reflections without the
Dear Gerard,
I'm not going to comment on what others said in this (new) thread; just trying
to make a few remarks about what you write below -
On Tue, 4 Oct 2022 17:01:10 +0100, Gerard Bricogne
wrote:
>Dear all,
>
> First of all, apologies for breaking the threads entitled "PAIREF -
Dear Gerard,
You state in the PAIREF discussion that:
“…cut-off threshold for the local average of I/sig(I) in STARANISO, whose
default value is currently 1.2 but can be reset by the user through the Web
server's GUI.”
Can this value be changed when running Autoproc/Staraniso from the command
