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mofstructure

Topology, porosity and building-unit analysis of MOFs

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Contents:

  • Installation
  • Quick Start Guide
  • Running on the Command Line
  • Using mofstructure as a Library
  • How to Guide
  • Quick Start Guide
  • Reading Structures
  • Removing Guest Molecules
  • Deconstruction: Building Units
  • Topology Analysis
  • Porosity Analysis
  • Open Metal Sites (OMS)
  • Run on the Command Line
  • Processing Multiple CIF Files
  • Use as a Library
  • API Reference
  • Updates Version 0.1.9.1
  • Updates Version 0.1.9.0
  • Updates Version 0.1.8.9
  • Updates Version 0.1.8.7
  • Updates Version 0.1.8.6
  • Updates Version 0.1.8.3
  • Updates Version 0.1.8.2
  • Updates Version 0.1.8.1
  • Updates Version 0.1.8
  • Updates Version 0.1.7
  • Updates Version 0.1.6
  • Updates Version 0.1.5
  • Updates Version 0.1.4

  • Source on GitHub
  • Package on PyPI
  • Author's website

Related Topics

  • Documentation overview

All modules for which code is available

  • mofstructure.cof_stacking
  • mofstructure.generate_cgd
  • mofstructure.graph_net
    • mofstructure.graph_net.archive
    • mofstructure.graph_net.barycentric
    • mofstructure.graph_net.canonical
    • mofstructure.graph_net.embedding
    • mofstructure.graph_net.invariants
    • mofstructure.graph_net.periodic_graph
    • mofstructure.graph_net.primitive
    • mofstructure.graph_net.symmetry
  • mofstructure.mofdeconstructor
  • mofstructure.porosity
  • mofstructure.structure
  • mofstructure.topology
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