Summary ChatMol is a ChatGPT plugin that offers a Free chatlite version that does not require an API key. ChatMol ChatMol is a PyMOL plugin based on large language models, that provide a conversational interface …
Protein Structure
Nobel-Winning AlphaFold2 and RosettaFold: Cracking the Protein Folding Mystery
Summary “Explore how David Baker, Demis Hassabis, and John Jumper won the 2024 Nobel Prize in Chemistry for their advances in computer-assisted protein design.” Video: How AI Cracked the Protein Folding Code and Won a …
Free NIH BioART 2D and NIH 3D
Summary The NIH offers 2D bioart (bioart.niaid.nih.gov) with a public domain license, and collections of 3D models (3d.nih.gov) Free 2D Bio Art The National Institute of Allergy and Infectious Diseases (NIAID), one of the 27 …
AlphaFold2 with ColabFold in Container
Summary Run the ColabFold version of AlphaFold2 on your laptop (slow without GPU) or on a large Linux cluster. The full tutorial with scripts is located at ColabFold with HTCondor What is AlphaFold2 Excerpt from …
No GUI PyMOL – computing distances for thousands of PDB files from Rosetta
Summary We run a script to compute the distance between 2 atoms in a series of PDB files with identical molecules in different conformations and save the distance results into a plain text file. No …
PyMOL and Biological Units from REMARK 350
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. …
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 …