Preparing PDBx/mmCIF files from Phenix/REFMAC

The best way to deposit your structure is in PDBx/mmCIF format.

Recent versions of the refinement packages Phenix (version 1.8.2 or newer) and REFMAC (version 5.8 or newer) support outputting PDBx/mmCIF files directly and ready for deposition. Package specific instructions are:

  • Phenix: The developers have provided a web page with details on preparing a deposition.
  • REFMAC: To output a PDBx/mmCIF file from REFMAC, you need to add a card that reads "pdbout format mmcif". REFMAC can also read a file by specifying a PDBx/mmCIF file as an HKLIN argument.

If you have have any questions about the above instructions, we suggest that you contact the authors of the program in question.