Author Archives: Alex Greenshields Watson

The Sprawl: Slogs in Scribing and Software

“Dead shopping malls rise like mountains beyond mountains. And there’s no end in sight.”

Régine Chassagne

Sometimes I wonder would my PhD have been simpler if I had broken up the findings into three smaller papers. In the end there were 7 main figures, 7 supplementary figures, 5 supplementary tables and one supplementary data section in one solitary publication. The contents of a 3 year 3 month tour through the helper T cell response to the inner proteins of the flu virus. The experimental worked comprised crystal structures, cell assays, tetramer staining and TCR sequencing. During the following years as it was batted back and forth between last authors, different journals and reviewers I continually reworked the figures and added extra bioinformatic analyses. I was fortunate that others in the lab kindly performed some in vivo experiments which helped cement the findings. It all started in January 2014, but the paper wasn’t published until July 2020. There are many terms which could be used to describe how the process of writing and re-writing felt as it dragged on through my 3 year post doc, for the purpose of this very public blog I will refer to it as, “a slog.

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Why the vegans will say “I told you so…”

I am writing this on Wednesday 2nd October 2024. The news has all eyes on the middle eastern skies. Yesterday a story was circulating on BBC news warning of a drop in uptake of the seasonal flu jab.

https://www.bbc.co.uk/news/articles/c62d8r0nnl6o

Four days ago, on Friday 27th September, several news outlets reported that several healthcare workers had shown flu-like symptoms following exposure to the first patient known to have contracted avian flu (H5N1) without any animal contact. PCR testing has been inconclusive, with none of these workers testing positive for signs of the virus.

https://www.bbc.co.uk/news/articles/czd1v3vn6ero

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Useful metrics and their meanings

Short and selfish blog here. Probably been done before, but I shall carry on regardless. I am going to review some metrics relevant to our area of Immunoinformatics. In other words, I will try dissect things such as perplexity, logits, pTM, pLDDT and the ABodyBuilder2 confidence score. These numbers can help inform us on the likelihood of predictions, and whether we should have confidence in them.

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OPIG Retreat 2023

With the new academic year approaching, OPIG flew off to the rural paradise of Wilderhope Manor in sunny Shropshire for their annual group getaway. The goal of this retreat was assumed to be a mixture of team building, ‘conference-esque’ academic immersion, a reconnection with nature in the British countryside, and of course, a bit of fun. It is fair to say OPIG Retreat ‘23 delivered on all accounts, leaving the OPIGlets refreshed and ready for what the next year may bring.

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The dangers of Conda-Pack and OpenMM

If you are running lots of little jobs in SLURM and want to make use of free nodes that suddenly become available, it is helpful to have a way of rapidly shipping your environments that does not rely on installing conda or rebuilding the environment from scratch every time. This is useful with complex rebuilds where exported .yml files do not always work as expected, even when specifying exact versions and source locations.

In these situations a tool such a conda-pack becomes incredibly useful. Once you have perfected the house of cards that is your conda environment, you can use conda-pack to save that exact state as a tar.gz file.

conda-pack -n my_precious_env -o my_precious_env.tar.gz

This can provide you with a backup to be used when you accidentally delete conda from your system, or if you irreparable corrupt the environment and cannot roll back to the point in time when everything worked. These tar.gz files can also be copied to distant locations by the use of rsync or scp, unpacked, sourced and used without installing conda…

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