validate_pdb
Validate PDB or mmCIF files for downstream MD, docking, or analysis. Reports format errors, non-standard residues, altLocs, chain gaps, and other issues to catch before pipeline use.
Instructions
Validate a PDB or mmCIF structure file (AlphaFold 3 / RCSB) for downstream use (MD prep, docking, analysis).
Reports atom/residue/chain counts, fixed-column format errors, non-standard residues, altLocs, chain gaps, duplicate atom names, insertion-code residues, and multi-model (NMR) notes. Always run this before feeding a structure into a pipeline.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| pdb_path | Yes |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
| result | Yes |