PDB MTRIX equivalent

• Messages sorted by: [ date ][ subject ][ author ]
• Previous message: Eldon Ulrich: "Molecular structure definitions"

I may have missed it, but I can't seem to find an equivalent to the
PDB MTRIX entries for non-crystallographic symmetry in cifdic.m95.
If it is not already there, I would suggest an addition to the
atom_sites category similar to the *_transf_matrix[i][j] and
*_transf_matrix[i] which now have *=cartn and *=frac, with a new
*=non_cryst, and a linked non_cryst_transf_id to allow for multiple
transformations.  Alternatively, I suppose one could add it to
the struct_asym category as Phil Bourne has suggested in pdb2cif,
but putting it with atom_sites seems "more natural" (whatever
that means -- there's no accounting for taste, certainly not for
mine).

In any case, my apologies to one and all if I missed something
that has already been taken care of.
  -- H. J. Bernstein

• Previous message: Eldon Ulrich: "Molecular structure definitions"