Converter for JSON schema to mmCIF for PDB

This repository implements a file converter JSON <--> PDBx/mmCIF. The JSON schema is defined in OSCEM repo and the PDBx/mmCIF format in (PDBML Schema v50 ).

The file mapper.tsv is produced by extracting two relevant columns from conversions in OSCEM. This file is required to run the Go code.

To convert JSON into mmCIF:

• specify both Instrument and Sample JSON files ( It is assumed that JSON files pass validation against OSCEM schemas)
• specify the mapper file
• specify the output file

go run converter.go .../OSCEM_Schemas/Instrument/test_data_valid.json .../OSCEM_Schemas/Sample/Sample_valid.json mapper.tsv output.cif

TBA

• values are not sorted nicely, but alphabetically - e.g first and last name don't follow each other (see output.cif)
• mmCIF to JSON converter. This, however, is different: EMDB enables download of a very rich mmCIF files with coordinates data. The converter will only create the JSON based on OSCEM schema.