A new PDBx/mmCIF category, _pdbx_initial_refinement_model has been introduced to improve information collected about starting model for X-ray, 3DEM and NMR methods.
This category will distinguish experimentally and computationally derived models, with provenance of the resource where the starting model was obtained (e.g., PDB, AlphaFoldDB, RoseTTAFold, etc.) and its accession code/identifier, if publicly available.
A detailed definition and example of this data category is available at .
The relevant items in this category are as follows:
_pdbx_initial_refinement_model.id
_pdbx_initial_refinement_model.entity_id_list
_pdbx_initial_refinement_model.type
_pdbx_initial_refinement_model.source_name
_pdbx_initial_refinement_model.accession_code
_pdbx_initial_refinement_model.details
The wwPDB strongly recommends that all PDB users and software developers review their code where applicable and adopt this new category for any future applications.
