Welcome to the Compound Attachment/Analysis Tools’ documentation!
Contents:
- Compound Attachment Tool
- 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