torchref.cli.add_metadata module
Standalone CLI tool to add deposition metadata to PDB or mmCIF files.
Reads an existing structure file, applies metadata from CLI arguments and/or a JSON file, and writes the output in PDB or mmCIF format (determined by the output file extension).
Examples
# Add title and authors to a PDB file
torchref.add-metadata -i input.pdb -o output.pdb --title "My Structure" --authors "A. Person"
# Convert PDB to mmCIF with metadata
torchref.add-metadata -i input.pdb -o output.cif --title "My Structure"
# Apply metadata from a JSON file
torchref.add-metadata -i input.pdb -o output.pdb --metadata stats.json
# JSON overrides + CLI overrides (CLI takes precedence)
torchref.add-metadata -i input.cif -o output.cif --metadata stats.json --title "Override Title"