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