University of Wisconsin–Madison

Category: sequence analysis

Python NumPy 2.0 incompatibilities

Summary The new Numpy 2.0 is not compatible with many other packages, as I discovered after many lost hours. The final Docker images can be downloaded from alleleanalyzer. NumPy in a Docker I was interested to implement a process involving Python packages from a paper published in 2019: “AlleleAnalyzer: a tool for personalized and allele-specific …

Rosetta Ligand Docking – Help with Docker

Summary Combine software and scripts on Docker and local macOS computer (Intel amd64 or arm64 Silicon Chip M series) to follow successfully the Rosetta tutorial Ligand Docking with a G-Protein Coupled Receptor. This method will allow to access the native OS speed while fulfilling all preparatory and exploratory steps that fail or are too complex …

Interactive bioinformatics tutorials

Summary sandbox.bio provides interactive tutorials for exploring bioinformatics command-line tools within a web browser. Bioinformatics When people ask “what is bioinformatics” I have to pause. When I named a computer “bioinformatics” at the dawn of the Internet Age (1994) it made sense to me base on the French language: “informatique” is a French word for …

Five ways to run AlphaFold

What is AlphaFold How to access AlphaFold There are multiple options to access AlphaFold. Here are four options using the limited databases. One options for the full databases. Using limited Databases: 1.) Casual users can use “Google Colab” with a web browser. Familiarity with Jupyter Notebook for running Python is helpful. The service is free …

3D Molecular Structures Analysis with NCBI iCn3D

NCBI tutorial: iCn3D hands-on workshop “I see in 3D” (iCn3D) Structure Viewer is not only a web-based 3D viewer, but also a structure analysis tool interactively or in the batch mode […] – (Longer description.) This workshop is designed for life scientists with some (intermediate) expertise in structural biology. The topics of structure prediction, molecular …

Magic-BLAST analysis of NextGen Reads

NCBI Magic-BLAST Workshop The intermediate level workshop Analyzing & Visualizing NextGen Reads with Magic-BLAST – [Archived] is designed for biologists who are comfortable working with the command-line (bash) and who are interested in performing some early analysis on their next-generation sequence data in comparison to an annotated reference sequence. – Materials: Analyzing & Visualizing NextGen Reads …

Python for the Life Sciences – A Gentle Introduction

Summary This book will be used to learn Python in workshop settings. For Biologists, Life Scientists There are many books, even free books, with the objective to teach Python or other programming languages. I previously wrote a list of free books on the post Free Data Science Books. This book “Python for the Life Sciences …

How BLAST Works and Using Web BLAST Effectively

NCBI BLAST Workshop The NCBI workshop is designed for beginning BLAST users or people wanting a refresher on how blast works and some tips on how to run effective BLAST searches. – Materials: 2022-10_Basic-Web-BLAST – Slides, PDF: workshop_BLAST_Oct2022.pdf – Recording: has been added (See Workshop Video Tab on Materials page.) This workshop is suitable both …

Computing residues per turn in an alpha helix

Single mutation to be modeled I recently had an interesting challenge, that of creating a molecular model of a protein expressed from a gene with a newly identified single amino acid mutation. I (wrongly) assumed that it would be a “simple” 3D homology modeling problem, solved by common methods. It turns out that the protein …

bioinformatics tutorials

  June 26, 2020. I have added a new entry under the “Tutorials” menu for “bioinformatics” to provide a place for tutorials that are more than just about one subject. “bioinformatics is the science of collecting and analyzing complex biochemical and biological information using computers.” It may provide the tools to “look under the hood” …