CAT
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Compound Attachment Tool 0.11.0
CAT Documentation
General Overview & Getting Started
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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
nanoCAT.recipes.mark_surface
nanoCAT.recipes.bulk
nanoCAT.recipes.surface_dissociation
nanoCAT.recipes.charges
nanoCAT.recipes.coordination_number
Index
API
nanoCAT.recipes.multi_ligand_job
nanoCAT.recipes.mol_filter
nanoCAT.recipes.cdft_utils
nanoCAT.recipes.entropy
nanoCAT.recipes.fast_sigma
Multi-ligand attachment
Subset Generation
CAT
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CAT Documentation
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Recipes
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Recipes
nanoCAT.recipes.mark_surface
Index
API
nanoCAT.recipes.bulk
Index
API
nanoCAT.recipes.surface_dissociation
Index
API
nanoCAT.recipes.charges
Index
API
nanoCAT.recipes.coordination_number
Index
API
Index
API
nanoCAT.recipes.multi_ligand_job
nanoCAT.recipes.mol_filter
Index
API
nanoCAT.recipes.cdft_utils
Index
API
nanoCAT.recipes.entropy
Index
API
nanoCAT.recipes.fast_sigma
Index
API
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