PHENOMS
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  • Usage
  • CLI
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  • API
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Contents

  • Installation
  • Usage
  • Command-line interface
  • Outputs
  • Benchmarks
  • API reference
    • Core workflow
    • Preprocess & I/O
    • H-bond detection
    • Comparison utilities
    • Plotting & reduction
    • QC, cleanup & structure
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API reference#

High-level workflow classes and helpers. Lower-level detection and plotting utilities are also documented below.

  • Core workflow
  • Preprocess & I/O
  • H-bond detection
  • Comparison utilities
  • Plotting & reduction
  • QC, cleanup & structure
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Core workflow

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