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SCALE and ORIGX

herbert_bernstein (yaya@aip.org)
Thu, 5 Oct 95 17:22:06 EDT


How does the newly proposed DATABASE_PDB_MATRIX handling of SCALE
differ from _atom_sites.fract_transf_matrix ... and _vector ...?

Also, would it not be clearer to put the ORIGX information in
as a sub-category of atom_sites, say, as .PDB etc., etc., since
in fact it is primarily an atom_sites issue and only secondarily
(if at all) a database issue.   It is a transform to bring the
dataset back to a coordinate frame the experimenter thought useful.
  -- H. J. Bernstein