[cctbxbb] any plans for PDB files with long CCD codes?

[Marcin Wojdyr]

Hello Cctbx and Phenix developers,

as you know, extended CCD codes arrive this year. I'm looking into examples
https://github.com/wwPDB/extended-wwPDB-identifier-examples
and thinking what's the best way to convert such files to PDB.
Do you plan anything in this matter, like it was done with
https://cci.lbl.gov/hybrid_36/ in the past?

Tentatively, I'm thinking about mapping residue names in the HETNAM record.
For example, BB87Q would be mapped to a "3 letter code" that code
would have a special character to make it different from normal
3-letter codes (let's say '%', or maybe '+' or '_' - I don't have a
strong preference), and the original CCD code would be given in
columns 72-79 of HETNAM that are currently unused:

HETNAM     BB% PHOSPHOSERINE     [...]     BB87Q