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Graphein 1.0.11 documentation

Getting Started

  • Installation
  • Graphein
  • Usage
  • License

Tutorials

  • Protein
    • Graphein - Residue Graph Tutorial
    • Graphein - Atom Graph Tutorial
    • Constructing Graphs from AlphaFold Protein Structure Database
    • Constructing Subgraphs in Graphein
    • Creating Protein Meshes in Graphein & 3D Visualisation
    • Distance Matrix
  • RNA Graphs
    • Graphein RNA Graph Construction Tutorial
  • PPI Networks
    • PPI Networks and Structural Interactomics
  • Gene Regulatory Networks
    • Gene Regulatory Network Tutorial

Datasets

  • Datasets
    • PSCDB - Protein Structural Change Database
    • PSCDB - Baselines
    • PPISP - Protein Protein Interaction Structure Prediction

API Reference

  • graphein.protein
  • graphein.rna
  • graphein.ppi
  • graphein.grn
  • graphein.ml
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Contents
  • Protein
  • PPI_Netwrok
    • Gene Regulatory Networks

Protein

Contents

  • Protein
  • PPI_Netwrok
    • Gene Regulatory Networks

Protein¶

  • Graphein - Residue Graph Tutorial
    • Config
    • High-level API
      • Edge Functions
      • Features & Metadata
    • Low-Level API
      • Pre-Processing
      • Building the Graph
  • Graphein - Atom Graph Tutorial
    • Config
    • Config for Atom-level Graphs
    • High-level API
  • Constructing Graphs from AlphaFold Protein Structure Database
    • Downloading Structures
    • Constructing the Graph
    • Adding Edges
  • Constructing Subgraphs in Graphein
    • Subsetting with a list of nodes
      • Spatial Subgraphing
    • Subgraphing based on Residue Types
    • Subgraphing based on Chains
    • Subgraphing to Protein Surface
    • Subgraphing based on Secondary Structure
    • Subgraphing based on sequence positions
    • Subgraphs based on bond types
    • K-hop subgraphs
    • Subgraphing based on Atom Types
    • High-level function
  • Creating Protein Meshes in Graphein & 3D Visualisation
    • High-level API
      • Config
      • Building a mesh
    • Modifying Mesh Parameters
    • Using PyMol for 3D Visualisation
  • Distance Matrix
  • Plot 3D Structure
    • Parameters
  • Asteroid Plot

PPI_Netwrok¶

  • PPI Networks and Structural Interactomics
    • Config
    • Visualisation
    • Node Metadata
    • Graph Metadata
    • Structural Interactomics with AlphaFold2
    • Plot SARS-CoV-2 host-virus proteins (Gordon et al., 2020)

Gene Regulatory Networks¶

  • Gene Regulatory Network Tutorial
    • Config Objects
    • Gene List
    • Edge Annotation Functions
    • Graph Construction
    • Plotting the Graph

By Arian Jamasb
© Copyright 2022, Arian Jamasb.