Hi Pawel,
Yes, agreed on that last point... grain of salt etc. Still, just because
something is pretty much correct for most happy cases doesn't mean we
should stop trying to get it right even for the edge cases, does it?
Thanks for pointing us to your confidence interval, which I now realize I
o
Belatedly, but since the thread is still alive: Thank you Colin for answering
my request - super informative, as were the later posts on B-factor and
sharpening.
It all reinforces my prejudice: we need to turn to interpretability, i.e. the
next step (modelling), to inform the question of info
Hi Colin,
It sounds to me like you are mostly asking about whether 1/2-bit is the
"correct" target to aim for, the "correct" criterion for a resolution
claim. I have no view on that. I have yet to read Randy's work on the topic
- it sounds very informative.
What I do have a view on is, once one h
Just a note: James Holton said "true B-factor" not "true B-factors".
I believe he was talking about the overall B not the individual B's.
Dale Tronrud
On 3/8/2020 3:25 PM, Rangana Warshamanage wrote:
> Sorry for not being clear enough.
> If B-factors at the end of refinement are the "true B-f
Sorry for not being clear enough.
If B-factors at the end of refinement are the "true B-factors" then they
represent a true property of data. They should be good enough to assess the
model quality directly. This is what I meant by B factor validation.
However, how far are the final B-factors simila
On Sunday, 8 March 2020 01:08:32 PDT Rangana Warshamanage wrote:
> "The best estimate we have of the "true" B factor is the model B factors
> we get at the end of refinement, once everything is converged, after we
> have done all the building we can. It is this "true B factor" that is a
> property
Hi everyone,
We have a new job opening in the Molecular Foundry at Berkeley Lab. Please
forward as appropriate:
Job Description
Berkeley Lab's Molecular Foundry has an exciting opportunity for a
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we can use model B factors to validate structures - see
Analysis and validation of macromolecular B values
R. C. Masmaliyeva and G. N. Murshudov
Acta Cryst. (2019). D75, 505-518
https://doi.org/10.1107/S2059798319004807
HTH
Kay
On Sun, 8 Mar 2020 09:08:32 +, Rangana Warshamanage
wrote:
"The best estimate we have of the "true" B factor is the model B factors
we get at the end of refinement, once everything is converged, after we
have done all the building we can. It is this "true B factor" that is a
property of the data, not the model, "
If this is the case, why can't we use mod
