Examples

This gallery contains example scripts demonstrating how to use atomworks for structure parsing, visualization, and analysis.

Each example is fully annotated and can be run interactively.

Enjoy exploring!

Structure Manipulation Basics

Structure Manipulation Basics

Loading and Visualizing Protein Structures

Loading and Visualizing Protein Structures

Dataset Exploration and Management in AtomWorks

Dataset Exploration and Management in AtomWorks

Annotating and Saving Protein Structures

Annotating and Saving Protein Structures

Creating Custom Transforms: Ligand Pocket Conditioning

Creating Custom Transforms: Ligand Pocket Conditioning