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CGsmiles 1.0.2.dev5 documentation
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Getting Started

  • Installation
  • Syntax Examples
  • Tutorials
    • Reading & Resolving
    • Drawing
    • Martini Mappings
    • Polymers
    • Map all-atom structure to CG resolution

Syntax Rules

  • Introduction
  • General Graph Syntax
  • General Fragment Syntax
  • Layering of Resolutions
  • Chirality, Isomerism & Aromaticity

API

  • cgsmiles.resolve module
  • cgsmiles.drawing module
  • cgsmiles.sample module
  • cgsmiles.write_cgsmiles module
  • cgsmiles.read_cgsmiles module
  • cgsmiles.read_fragments module
  • cgsmiles.graph_utils module
  • cgsmiles.pysmiles_utils module
  • cgsmiles
    • cgsmiles package
      • cgsmiles.cgsmiles_utils module
      • cgsmiles.coordinates module
      • cgsmiles.dialects module
      • cgsmiles.drawing module
      • cgsmiles.drawing_utils module
      • cgsmiles.graph_layout module
      • cgsmiles.graph_layout_utils module
      • cgsmiles.graph_utils module
      • cgsmiles.linalg_functions module
      • cgsmiles.pysmiles_utils module
      • cgsmiles.rdkit module
      • cgsmiles.read_cgsmiles module
      • cgsmiles.read_fragments module
      • cgsmiles.resolve module
      • cgsmiles.sample module
      • cgsmiles.test_utils module
      • cgsmiles.write_cgsmiles module
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TutorialsΒΆ

  • Reading & Resolving
  • Drawing
  • Martini Mappings
    • Design Guidelines
    • Examples
  • Polymers
    • Linear Polymer Polystyrene
    • Graft Polymer mPEG Acrylate
  • Map all-atom structure to CG resolution
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Reading & Resolving
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Syntax Examples
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