Quick Start

Parsing an mmCIF File

from sloth import MMCIFHandler

handler = MMCIFHandler()
mmcif = handler.read("1abc.cif")

# Access data with dot notation
block = mmcif.data_1ABC
print(block._struct.title[0])
print(block._atom_site.Cartn_x[0])

Selective Parsing

Load only the categories you need:

mmcif = handler.read("1abc.cif", categories=["_atom_site", "_entity"])

Writing mmCIF Files

handler.write(mmcif, "output.cif")

Quick JSON Export

# Export to nested JSON with resolved relationships
json_str = handler.export(mmcif, indent=2)

# Export directly to file
handler.export(mmcif, file_path="output.json", indent=2)

Quick JSON Import

# Import from JSON (automatically flattens nested structure)
mmcif = handler.load("output.json")