mkt.databases.utils.convert_mmcifdict2structure

mkt.databases.utils.convert_mmcifdict2structure(dict_cif: dict[str, str | list[str]], structure_id: str = 'kinase') → Structure[source]

Convert an MMCIF2Dict dictionary into a Bio.PDB Structure.

The CIF data stored on KinaseInfo.kincore.cif.cif is an MMCIF2Dict object; Bio.PDB cannot build a structure from it directly, so it is round tripped through a temporary CIF file via MMCIFIO/MMCIFParser.

Parameters:

dict_cif (dict[str, str | list[str]]) – CIF dictionary (MMCIF2Dict), e.g. KinaseInfo.kincore.cif.cif.
structure_id (str) – Identifier assigned to the returned structure, by default “kinase”.

Returns:

Bio.PDB Structure object parsed from the CIF dictionary. Residues are numbered by auth_seq_id, which for KinCore CIFs corresponds to the UniProt sequence position.

Return type:

Structure