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In my humble opinion there is no excuse for with-holding information to protect against ignorance. As crystallographers we constantly deal with the issue of what is reliable and what is not. One of the stronger tools is the real space refinement (RSR) and its correlation coefficients. The EDS is a very powerful server that gives a breakdown by residue. Could such a breakdown be calculated for side-chains/atoms? We could then report that value and teach the lay community to look at that number, instead of the complicated B factors that already have made a bad name for themselves in the lay community of being a fudge-factor. RSR is intuitive and the pictures the EDS offers are worth a thousand words (and arguments).
Deena Deena Abells Oren, PhD Laboratory of Molecular Biophysics Rockefeller University 1230 York Ave New York, NY 10021 phone: 212-327-7429
