Boltz Property Builder¶
Constructs property specifications for Boltz YAML configurations. Currently supports defining an affinity property by specifying which chain is the binder (ligand). Validates inputs and outputs a property block ready to be combined into a full Boltz configuration.
Usage¶
Use this node when you need to add property predictions to a Boltz run, such as computing binding affinity for a specified binder chain in a complex. Typically, create your sequences/templates/constraints, build the property with this node, then combine with other builders (e.g., list and YAML combiners) before running prediction or partial diffusion.
Inputs¶
| Field | Required | Type | Description | Example |
|---|---|---|---|---|
| property_type | True | CHOICE | Select the type of property to predict. Currently only 'affinity' is supported. | affinity |
| binder_chain | True | STRING | Chain ID of the binder (ligand) within the complex. Must match the chain labeling used elsewhere in your configuration. | B |
Outputs¶
| Field | Type | Description | Example |
|---|---|---|---|
| properties | * | A list containing one property object. For affinity, the structure is {"affinity": {"binder": " | [{"affinity": {"binder": "B"}}] |
Important Notes¶
- Only 'affinity' is supported: property_type must be 'affinity'; other values will raise an error.
- Binder chain is required: An empty or whitespace-only binder_chain will raise a validation error.
- Chain ID consistency: Ensure binder_chain matches the chain identifiers used in your sequence/template nodes.
- Output is a list: The node returns a list with a single property object; combine with other lists/configs as needed.
- Intended for combination: Use with Boltz List Combiner and Boltz YAML Combiner to assemble a full Boltz configuration before prediction.
Troubleshooting¶
- Error: 'Binder chain ID is required': Provide a non-empty chain ID (e.g., 'A', 'B', or a specific ligand chain).
- Error: 'Unsupported property type': Set property_type to 'affinity'. Other values are not supported.
- Predictions ignore affinity output: Confirm you passed the properties output into the YAML/combiner nodes and into the predict node; also verify the binder_chain matches an actual chain in your complex.
- Mismatched chain IDs: If results look incorrect, re-check that the binder chain label used here exists and is consistent across all upstream nodes.