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xyzrender documentation
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xyzrender documentation

Getting Started

  • Installation
  • CLI Quickstart
  • Python / Jupyter Quickstart

User Guide

  • Input Formats
  • Configuration
  • Orientation
  • Python API Guide

Examples — Styling

  • Basics
  • Highlight & Molecule Color
  • Style Regions
  • Atom Colormap

Examples — Surfaces & analysis

  • Molecular Orbitals
  • Electron Density and ESP
  • NCI Surface
  • Transition States and NCI

Examples — Geometry tools

  • Structural Overlay
  • Conformer Ensemble
  • Convex hull, faces & pores
  • Crystal Structures

Examples — Annotations

  • Annotations & measurements

Examples — Output

  • Animations

Reference

  • CLI Reference
  • Core API
  • Types Reference
  • Config Reference

About

  • Citation
  • Acknowledgements
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Copyright © 2026, Dr Alister S. Goodfellow
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