Welcome to boltz-data’s documentation!

boltz-data is a library for processing molecular data, with a focus on handling CIF files, working with molecular structures, and performing various chemical informatics operations.

User Guides:

• BZMol: Molecular Structure Format
  • What is BZMol?
  • Structure
  • Creating BZMol
  • Converting From BZMol
  • Working with BZMol
  • Working with BZBioMol
  • Modifying BZMol
  • Generating Coordinates
  • Validation
  • Biological Assemblies
  • Geometric Analysis
  • Additional Conversions
  • Loading and Saving
  • API Reference
• Chemical Component Dictionary (CCD)
  • What is the CCD?
  • Reading CCD Data
  • Compression
  • Working with CCD Data
  • API Reference
• Working with mmCIF Files
  • What are mmCIF Files?
  • Reading CIF Files
  • Writing CIF Files
  • Parsing mmCIF files
  • API Reference
• Structure Definitions
  • What are Structure Definitions?
  • Core Classes
  • Creating Protein Structures
  • Creating Nucleic Acid Structures
  • Creating Ligand Structures
  • Creating Multi-Chain Structures
  • Inter-Chain Bonds
  • Converting to BZMol
  • Converting from BZMol
  • Branched Polymers
  • Serialization
  • Use Cases
  • API Reference
• Structure Datasets
  • What is a Structure Dataset?
  • Dataset Structure
  • Generating Datasets
  • Loading Datasets
• File I/O and Serialization
  • Overview
  • Quick Start
  • Format-Specific Functions
  • Type-Safe I/O
  • File Path Utilities
  • Remote File Support
  • Format Comparison
  • Best Practices
  • Common Workflows
  • Advanced: Direct CBOR Usage
  • Performance Tips
  • API Reference
• Polymer Sequences
  • Sequence Notation
  • Conversions
  • Mappings
  • Backbone Connectivity
  • Extract Sequences from Structures
  • Reference
  • Standard Nucleotides
  • API Reference
• Molecular Visualization
  • 3D Ball-and-Stick Models
  • 2D Structural Diagrams
  • BZMol Visualization
  • Primitives
  • Colors
  • Grid Layout
  • Rendering Options
  • Common Workflows
  • Tips
  • Jupyter Integration
  • API Reference
• Conformer Generation
  • Metal complexes
  • 2D Depictions of Conformers

API Reference:

• API Reference
  • Modules

Indices and tables

• Index

• Module Index

• Search Page