Category Archives: Computation

PyMOD 3: Structural Bioinformatics within PyMOL

Web page: http://schubert.bio.uniroma1.it/pymod/GitHub: https://github.com/pymodproject/pymod Reference Giacomo Janson, Alessandro Paiardini, PyMod 3: a complete suite for structural bioinformatics in PyMOL, Bioinformatics, Volume 37, Issue 10, 15 May 2021, Pages 1471–1472, https://doi.org/10.1093/bioinformatics/btaa849 Abstract The PyMod project is designed to act as a fully integrated interface between the popular molecular graphics viewer PyMOL, and some of the most… Read More »

Big Book of R

www.bigbookofr.com by Oscar Baruffa This online book is a compendium list of ~300 books using R for data analysis. Fro example, one useful example contained within is Computational Genomics with R by Altuna Akalin (2020-09-30.) The big book is available on GitHub as BigBookofR. If you take time to check the site and file 020-book_list.Rmd… Read More »

DataChat: Guided English Language© Ai and ML data analysis

A new spin-off company from the University of Wisconsin-Madison proposes a new interface for data analysis based on Guided English Language© (GEL) to command Artificial Intelligence and Machine Learning methods via “utterances” i.e. English-like phrases easier to write than code whether R, python, SQL, or other traditional tools. The web site is at datachat.ai The… Read More »

Nostalgic PAINT app

In 1984 the Macintosh arrived with the amazing MacWrite and MacPaint programs. But at that time it was all in black and white. Later, Windows also had a Paint program. If you feel nostalgic about these programs, there is a (color) version Microsoft Paint online: jspaint.app

Computing residues per turn in an alpha helix

Last month I wrote a blog on my Biochemistry Blog about computing the number of residues within an alpha helix. This was in relation to a project concerning predicting a “coiled-coil” structure. It was more complicated than I thought. The link to the original article is here: Computing residues per turn in an alpha helix… Read More »

Download Google Drive Files using wget

Cross-posting from post: Download Google Drive Files using wget The problem: transfer file between clouds Files on Google drive can be shared between users, but the default access to the file is via we web browser graphical interface. However, sometimes it may be useful, or even necessary, to access and download a file from a command line,… Read More »

macOS Catalina – when “Allow” does not appear in System Preferences

The saying goes “if it ain’t broke don’t fix it!” – Oh Yeah. But sometimes it is inevitable… Problem Last month, under macOS Mojave (10.14) suddenly VMWare did not want to start, because of a security issue internal to macOS. In the end it was decided to upgrade to 10.15 macOS Catalina (even though macOS… Read More »

Default preference reversal in R 4.0.x

I just wrote an entry on my Biochem blog which I think would fit on this site: Default preferences I enjoy using R and RStudio, but I am always weary of upgrading R because that usually leads to some issue(s). The most recent was a bit long for me to diagnose, even though in retrospect… Read More »

“bashing” PowerShell

Even though PowerShell has been around for apparently a long time (cerca 2002) it only came onto my “radar” recently as the “app” that can be used as a Text-Terminal to ssh somewhere. But I was then surprised to discover that in fact PowerShell also exists for MacOS as well as Linux! So I looked a… Read More »

in2csv: the Excel killer is part of csvkit the command-line spreadsheet

Summary csvkit is a suite of command-line tools for converting to and working with CSV, the king of tabular file formats. (csvkit can convert XLSX files to CSV.) A good docker container for csvkit: thomasleplus/csv Inspiration: stack overflow article: convert-xlsx-file-to-csv-using-batch Note: I wrote a different version of this on this post elsewhere: csvkit command-line spreadsheet can convert and… Read More »