Hi all,
There are lots of great suggestions in this thread. I will just add a
little trick from small molecule crystallography: when trying to estimate
how many atoms can fit in a given volume, you can use the Rule of 18. Take
the volume of interest in Angstroms^3 and divide it by 18 Angstroms^3.
Hi James,
I like your approach with dummy atoms and occupancy refinement. Dealing
with actual maps sounds like hell to me indeed (especially given that we
deal with weighted Fourier maps!). Reading this as someone who immediately
translates this into a computer code (in my mind), a few things that
There are several programs for integrating electron density, but please
let me assure you that it is almost always the wrong thing to do.
A much better strategy is occupancy refinement. Throw in dummy atoms,
turn off non-bonded interactions to them, and refine their occupancy
until it a) stop
Hi All,
My group has a couple of Postdoc positions available immediately to study the
structures and functions of proteins associated with neurodegenerative diseases.
The projects utilize cryo-EM and X-ray crystallography along with a battery of
other biophysical and biochemical methods.
As such
**
*We are currently recruiting for several positions at the AlphaFold
Protein Structure Database (AlphaFold DB)to join the Velankar team at
the European Bioinformatics Institute (EMBL-EBI).*
*
These are exciting opportunities to work as part of EMBL and DeepMind's
new partnership to make t
Dear all,
Our next industry talk is on Wednesday 28 September 2022 at 2pm UK time. The
speaker is John Liebeschuetz from Astex and his talk is "Do proteins ever
strain drug-like ligands?"
Details and registration at https://www.ccpbiosim.ac.uk/astex2022. If you had
registered for the talk in J
Hi All
To prevent Phenix removing link records, you can use Readyset to create a
parameters file based on LINK records, and feed it to the refinement program,
otherwhise they are deleted.
Best wishes
Matthew.
From: CCP4 bulletin board on behalf of Nicholas Cla
