Overview
This tutorial builds on the basic “Expand Atoms” tool from Tutorial 02: Navigation & Mouse Controls and explores shapeXT’s structure growth capabilities. You’ll learn how to fill unit cells, create supercells, incrementally grow structures, complete cut-off molecules at boundaries, and perform targeted expansion on individual atoms. By the end, you’ll know techniques for visualizing coordination environments, generating symmetry-equivalent copies, and preparing complex crystal structures for analysis and presentation.
Video Tutorial
What You’ll Learn
- Basic Filling
- Custom Cell Ranges
- Grow Structure
- Hydrogen Bond Visibility
- Reduce Structure
- Complete Fragments
- Targeted Atom Expansion
- Complete Single Fragments
- Expand Coordination Sphere
- Symmetry Expansion
- Fill Sphere