Summary Compute biological assembly from coordinates with a python script. Symmetry X-ray crystallography solved the mathematical problem to provide 3D (cartesian) coordinates but the resulting “asymmetric unit cell” does not necessarily represent the biological structure. …
Computing
New Tutorial Section: Computational Modeling
Computational Modeling This is the general title of a new Tutorials pull-down menu that will be populated with new or updated tutorials. It can be found within the Tutorials menu list as Computational Modeling The …
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 …
POSE: build, manipulate, mutate, L, D, protein molecular structures
Summary Pose is a Python library for building and manipulating protein molecular structures. Builds with L- and D- amino acids or a mixture; can open existing PDB structures. Computes many molecular properties. Pose Library Pose …
AlphaFold A practical guide Online Tutorial – EBI-EMBL
Summary This Free EBI/EMBL on-line course “AlphaFold, A practical guide” provides an understanding of the fundamental concepts behind AlphaFold2, how users can run protein predictions and integrate these predictions into their projects, and how AlphaFold2 …
NCBI-Workshops
Summary The National Center for Biotechnology Information (NCBI) offers events, including workshops hands-on, interactive training sessions. All events are listed on the NCBI Outreach Events page. Workshop recordings and materials remain available after the live …
R and Python workshops on Campus – Winter 2024
Summary Workshop Series available on Campus on R and Python: – Biochem – Social Science Computing Cooperative (SSCC) – UW Libraries – SSteenbock Library Workshops – Computational Biology, Ecology, & Evolution (ComBEE) Study Groups …
Is p-value hacking reverse statistics?
Summary P-value hacking is the process of manipulating or analyzing data in a way that increases the likelihood of obtaining statistically significant results. I used 4 different AI chatbots to obtain an explanation with examples. …
Do yourself a favor: learn Markdown – Episode 7: BibTeX for online articles
Summary A tool to create a BibTeX entry for online articles or blogs. Generate BibTeX from URL This is a follow-up on 6 “Episode”” in previous posts titled “Do yourself a favor: learn Markdown…” In …
Data exploration in R with Tidyverse dplyr – part 2 – 10 examples
Summary Part 1 (Sgro (2023)) : was a general overview of the dplyr package for data exploration and manipulation to summarize or extract information from tabular data. Part 2: (This post) provides worked examples while …