Does anyone know if there is a way of showing if a chiral compound is R or
S configuration in Coot? It would be nice to not resort to thumbs while
modelling!
Thanks!
Wes
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Edward,
Thanks for the response. I did look at the multiplicity of the datasets in
their table and while I suppose 6.9x redundancy is sort of high for P2
spacegroup it's actually lower than some of the other datasets (presumably
non-Eiger) in the table with good overall Rmerge (e.g. a C2 datase
I was looking at the following structure in the PDB:
http://www.rcsb.org/structure/6HR5 I noticed that the R/Rfree stats were
pretty high for 2.9A resolution so I followed up by looking for the "Table 1"
statistics in the journal article. Link to article:
https://www.nature.com/articles/s41
When you fix the error model in HKL2000 you only have a set of numbered boxes
(1-20) and knowing which box corresponds to which resolution bin and
corresponding chi^2 value isn't apparent without looking at the log file.
Besides using a script the easiest method IMO is graphically: hover your mo
