> I must weigh in here. I'll be surprised if the hundredths place has > reasonable significance in any protein crystal structure.
But Jmol is so adept at rendering non-proteins, too! :-) > Indeed, the > tenths decimal place is likely weak in many structures. Remember > also > that in a distance measurement the uncertainty doubles. A 1997 Rietveld analysis of kaolinite published in gave Si(1)-O bond distances of 1.67(3), 1.59(2), 1.65(4), and 1.65(4) A, which argues to the inclusion of two decimal places in A measurement, if not defaulting to two. (Errors on other reported bond lengths were similar. Admittedly, kaolinite is a well-crystallized, 'hard' target, making it 'easy' for diffraction analysis, compared to proteins.) > We do a disservice to the novice user to present distances to 3 > decimal places (OK, even to many non-novice users). It gives them > an > improper sense of the data. Agreed. ------------------------------------------------------- SF.Net email is Sponsored by the Better Software Conference & EXPO September 19-22, 2005 * San Francisco, CA * Development Lifecycle Practices Agile & Plan-Driven Development * Managing Projects & Teams * Testing & QA Security * Process Improvement & Measurement * http://www.sqe.com/bsce5sf _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
