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  • Welcome to the Compound Attachment/Analysis Tools’ documentation!
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Welcome to the Compound Attachment/Analysis Tools’ documentation!

Contents:

  • Compound Attachment Tool 0.11.0
    • Package installation
  • CAT Documentation
    • General Overview & Getting Started
    • path
    • input_cores & input_ligands
    • Optional
    • Bond Dissociation Energy
    • Type Aliases
    • The Database Class
    • The PDBContainer Class
    • Data Types
    • HDF5 Access Logging
    • HDF5 Property Storage
    • Context Managers
    • Ensemble-Averaged Activation Strain Analysis
    • Recipes
    • Multi-ligand attachment
    • Subset Generation
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© Copyright 2022, B. F. van Beek & J. Belic. Revision 4474c7e5.

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