Boltz Property Builder¶
Creates a properties object for Boltz YAML configurations. Currently supports defining an affinity property by specifying the binder (ligand) chain ID. Returns a list-wrapped property dictionary suitable for downstream combination and prediction.
Usage¶
Use this node when you need to include property predictions (e.g., binding affinity) in a Boltz configuration. Typically, you will build sequences/templates/constraints, build one or more properties with this node, combine lists if needed, then merge into a final YAML config for prediction.
Inputs¶
| Field | Required | Type | Description | Example |
|---|---|---|---|---|
| property_type | True | CHOICE | Select the property to predict. Currently only 'affinity' is supported. | affinity |
| binder_chain | True | STRING | Chain ID of the binder (ligand) for which to compute affinity. | B |
Outputs¶
| Field | Type | Description | Example |
|---|---|---|---|
| properties | * | A list containing one property dictionary for Boltz YAML (e.g., affinity settings). This is intended to be combined with other configuration parts before prediction. | [{'affinity': {'binder': 'B'}}] |
Important Notes¶
- Only 'affinity' is supported: The property_type must be 'affinity'.
- Binder chain is required: A non-empty chain ID must be provided for the binder_chain input.
- Output is list-wrapped: The node returns a list containing the property dictionary, designed to be merged with other lists via list/YAML combiner nodes.
- Chain IDs must match your setup: Ensure the binder_chain corresponds to a valid chain defined in your sequence/template configuration.
Troubleshooting¶
- Error: 'Binder chain ID is required': Provide a non-empty string for binder_chain (e.g., 'A' or 'B').
- Error: 'Unsupported property type': Only 'affinity' is allowed. Set property_type to 'affinity'.
- No affinity results in downstream outputs: Verify that the binder_chain matches a declared chain and that this properties output is correctly merged into the final configuration before prediction.