pepkit

Contents

  • Getting Started
    • What is PepKit?
    • TL;DR install
    • Verify installation
    • Recommended: use a virtual environment
    • Support
  • Chemical Modeling
    • At a glance
    • Sequence ⇄ SMILES conversion
      • Convert a peptide sequence → SMILES
      • Convert SMILES → sequence
      • Round-trip quick check
    • Standardization & filtering
    • Descriptors
    • See also
  • Query
    • Quick overview
    • Fetch a single PDB
    • Filter PDB
      • Single validation
      • Batch validation
      • Command line interface
    • Constraint-based PDB query
    • See also
  • Graph
  • Modeling
    • Overview
    • Examples
      • Single (direct) analysis
      • Per-entry (all ranked models)
    • Command line usage
      • Single entry
      • Batch (multiple entries)
    • Turning results into a summary table
    • Quick notes & tips
    • API quick reference
    • See also
  • API Reference
    • Module map
    • Chem Module
      • Conversion (pepkit.chem.conversion.conversion)
      • Descriptor (pepkit.chem.desc.descriptor)
      • Standardize (pepkit.chem.standardize)
    • Query Module
      • Request (pepkit.query.request)
      • Filter (pepkit.query.filter)
      • Constraint-based query (pepkit.query.query)
    • Modelling Module
      • Analysis (pepkit.modelling.af.post.analysis)
  • Changelog
    • Version 0.0.5
      • Highlights
      • Documentation
      • Packaging & dependencies
      • CLI
pepkit
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