atomium
1.0
  • Installing
  • Overview
  • Full API
  • Contributing to atomium
  • Changelog
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atomium

atomium is a molecular modeller and file parser, capable of reading from and writing to .pdb, .cif and .mmtf files.

Example

>>> import atomium
>>> pdb = atomium.fetch("5HVD")
>>> pdb.model
<Model (1 chain, 6 ligands)>
>>> pdb.model.chain("A")
<Chain A (255 residues)>

Table of Contents

  • Installing
    • pip
    • Development
    • Requirements
    • Testing
  • Overview
    • Loading Data
    • Using Data
      • Annotation
      • Models and Assembly
      • Model Contents
    • Saving Data
  • Full API
    • atomium.mmcif
    • atomium.pdb
    • atomium.mmtf
    • atomium.structures
    • atomium.utilities
    • atomium.base
    • atomium.data
  • Contributing to atomium
    • Raising an Issue
    • Pull Requests
      • How do Pull Requests work?
      • What does and doesn’t make a good Pull Request?
      • Requirements
        • Style
        • Documentation
        • Tests
          • Unit Tests
          • Integration Tests
        • Final Checks
  • Changelog
    • Release 1.0.11
    • Release 1.0.10
    • Release 1.0.9
    • Release 1.0.8
    • Release 1.0.7
    • Release 1.0.6
    • Release 1.0.5
    • Release 1.0.4
    • Release 1.0.3
    • Release 1.0.2
    • Release 1.0.1
    • Release 1.0.0
    • Release 0.12.2
    • Release 0.12.1
    • Release 0.12.0
    • Release 0.11.1
    • Release 0.11.0
    • Release 0.10.2
    • Release 0.10.1
    • Release 0.10.0
    • Release 0.9.1
    • Release 0.9.0
    • Release 0.8.0
    • Release 0.7.0
    • Release 0.6.0
    • Release 0.5.0
    • Release 0.4.0
    • Release 0.3.0
    • Release 0.2.0
    • Release 0.1.1
    • Release 0.1.0
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© Copyright 2021, Sam Ireland.

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