the mmCIF dictionary contains atom_sites_footnote
"Data items in the ATOM_SITES_FOOTNOTE category record detailed
comments about an atom site or a group of atom sites."
This seems to come close what you ask for.
On Wednesday, November 11, 2015 04:48:31 PM Oliver Clarke wrote:
> Hi all,
> There has been some discussion recently on the CootBB about the idea of
> incorporating built-in annotations in a structure, associated with specific
> I feel like this could be a really helpful addition both for end users of
> models (e.g the entry author could provide mark-up giving the activity of
> mutants at a particular position, comments on metal ion coordination,
> warnings of ambiguity in sequence or rotamer assignment, etc), and to aid
> collaboration during model building and refinement.
> I guess this is probably not easily incorporated in a PDB due to limitations
> of the format, but I wonder does anyone know if this would be possible for
> mmCIF (or PDBx) files? The idea would be to have REMARKs that are uniquely
> associated with a particular residue or x,y,z position, and which could
> therefore be parsed and displayed by Coot, chimera, pymol etc. Preferably
> such annotations would be persistent - not deleted during refinement by
> phenix/refmac unless explicitly requested. Thoughts?
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