this is a feature, not a bug. RasMol scales relative to a
maximum while Jmol should approximate the mean positional
displacement sqrt(B / 79)

In 1a3n B is e.g. several thousand sqrt(3000/79)= 6 A
but RasMol only scales them to a maximum of ~3 A

---------------------------------------------


ok. Thanks. Is it a useful feature? Are you sure you are implementing this correctly? All the temperature factors I see in that file (columns 61-66) are on the order of 5-30. What's this "thousands"?


see

http://www.stolaf.edu/people/hansonr/jmol/docs/examples/atoms.htm

last link.

Bob


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-- Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107 Professor of Chemistry, St. Olaf College 1520 St. Olaf Ave., Northfield, MN 55057 mailto:[EMAIL PROTECTED] http://www.stolaf.edu/people/hansonr




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