Batch PDB

Merges multiple PDB dictionaries into a single batch, ensuring all PDB IDs are unique. Useful for combining single or batched PDB inputs for downstream processing.

Quick Start

1. Connect at least one PDB input to pdb_1.
2. Add more PDBs by connecting to pdb_2, pdb_3, etc. (up to 30 inputs).
3. Use the output batch in downstream nodes.

Setup Guide

1. Prepare PDB Inputs

1. Generate or load PDBs using upstream nodes (e.g., Load PDB).
2. Ensure each PDB has a unique ID.

2. Connect Inputs

1. Connect each PDB to a separate input slot (pdb_1, pdb_2, ...).
2. Additional slots appear as you connect more PDBs.

Basic Usage

Batch Multiple PDBs

• Combine single or batched PDB dictionaries into one batch.
• Automatically checks for unique IDs to prevent conflicts.
• Supports up to 30 PDB inputs.

Configuration

Required Inputs

Field	Description	Type	Example
pdb_1	PDB to add to batch (single or batch). pdb_2 appears after connecting pdb_1.	PDB	{"1abc": "...PDB..."}

Optional Inputs

Field	Description	Type	Example
pdb_2+	Additional PDBs to add to batch. Each slot appears after the previous is set.	PDB	{"2def": "...PDB..."}

Outputs

Field	Description	Type	Example
structure.pdb	Batch of PDBs as a dict {pdb_id: pdb_content}.	PDB	{"1abc": "...", "2def": "..."}

Best Practices

Input Preparation

• Ensure all PDB IDs are unique to avoid errors.
• Use upstream nodes that assign or allow setting PDB IDs.

Workflow Integration

• Use Batch PDB to merge results before batch processing or evaluation.
• Connect only the PDBs you need for the batch to avoid unnecessary data.

Troubleshooting

Common Issues

• Duplicate PDB IDs: The node will raise an error if any PDB IDs are repeated. Ensure all input PDBs have unique IDs.
• Missing Inputs: At least one PDB input (pdb_1) is required.

Need Help?

• Contact support for further assistance.