Dear Oliviero,

many thanks for your timely comment.

I cannot agree more!

Happy retirement!

With all good wishes
Doriano

Il 2024-10-29 16:38 Italo Carugo Oliviero ha scritto:
In a few months, I will retire, because my brain thinks it is still
young but the rest of the body disagrees and thinks the brain is
slightly senile. Of course, I will miss the protein structures very
much, so unpredictable in their insolent beauty.

I have devoted several years of my life to the B-factors of their
atoms.

Initially, almost 30 years ago, some colleagues mocked me, telling me
that the B-side of proteins was nothing but dust hidden under the
carpet, nothing but background noise. Some later changed their minds,
and it is now generally agreed that the B-side of proteins deserves to
be visited and admired.

However, I am concerned about more recent developments that are
turning B-factors into real junk. TLS refinements as audacious as they
are ridiculously unprofessional are producing disasters. For example,
the 8q66 structure is very strange. It has been split into individual
TLS mini-blocks, which clearly demonstrates that the authors are
unaware of the TLS procedure and its proper application. A protein
containing two structural domains was divided into six small TLS
blocks, one of which belongs to both domains. Where are physics and
chemistry?

How can this happen? Here is the answer from a friend and colleague:
“unfortunately, the crystallographic programs became so automatic
and easy to use nowadays, that even complete ignorant people can get
something from them, and do not think if what they got makes sense or
not.”

Are computational models preferable in the end?

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--
Dr. Doriano Lamba
Retired Senior Research Associate
Istituto di Cristallografia - C.N.R.
Sede Secondaria di Trieste
Area Science Park - Basovizza
Building Q1 - Room 106
Strada Statale 14 - Km. 163.5
I-34149 Trieste - Italy
Mobile Phone: ++39 330411796
WhatsApp: ++39 3292616908
Skype-name: doriano.lamba
E-mail: [email protected]

www.cnr.it
Devolvi il 5×1000 al CNR
CF 80054330586
____________________________________________________________________________________________
WoS ResearchID: http://www.researcherid.com/rid/B-2961-2011
ORCID ID: http://orcid.org/0000-0001-6859-7868
Google Scholar:
https://scholar.google.it/citations?hl=en&user=YzLT5gUAAAAJ&view_op=list_works
Research Gate: https://www.researchgate.net/profile/Doriano_Lamba2
Scopus ID: https://www.scopus.com/authid/detail.url?authorId=7003374970

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