MMCIFHandler β€” Main Entry Point

The MMCIFHandler is the primary interface for reading, writing, exporting, and importing mmCIF data.

from sloth import MMCIFHandler

handler = MMCIFHandler()
mmcif = handler.read("1abc.cif")
class sloth.mmcif.handler.MMCIFHandler[source]

Bases: object

A class to handle reading and writing mmCIF files with high-performance gemmi backend.

__init__()[source]

Initialize the handler with gemmi backend for optimal performance.

read(filename, categories=None)[source]

Parse an mmCIF file and returns a data container using gemmi’s high-performance backend.

Parameters:

  • filename (str) – The name of the file to parse.

  • categories (Optional[List[str]]) – The categories to parse. If None, all categories are included.

Returns:

The data container with lazy-loaded items.

Return type:

MMCIFDataContainer

write(mmcif, filename=None)[source]

Writes a data container to a file using gemmi’s high-performance backend.

Parameters:

  • mmcif (MMCIFDataContainer) – The data container to write.

  • filename (Optional[str]) – Optional filename to write to. If not provided, uses pre-set file object.

Return type:

None

Returns:

None

export(mmcif, file_path=None, **kwargs)[source]

Export mmCIF data to JSON format.

Parameters:

  • mmcif (MMCIFDataContainer) – The data container to export

  • file_path (Optional[str]) – Path to save the file (optional)

  • kwargs – Additional options (e.g., indent, quiet)

Returns:

String representation if no file_path provided, otherwise None

Return type:

Optional[str]

load(file_path, **kwargs)[source]

Import mmCIF data from JSON format.

Parameters:

  • file_path (str) – Path to the JSON file to import

  • kwargs – Additional options

Returns:

An MMCIFDataContainer instance

Return type:

MMCIFDataContainer