Dear all,

A minor point but worth mentioning, I think...

The EDS server does not produce a density map for PDB entries for which it 
cannot calculate R-factors within 5 percentage points of the published values. 
I understand that the server was set up in the dark ages of crystallographic 
refinement, when people perhaps took some liberties with their refinement 
protocols. Hopefully, the educational point now has been made so wouldn't it be 
better to calculate the map together with a warning of the discrepancy in 
R-factor values?

Coot does display a map for such a PDB entry, but with a pop-up window warning 
the user that "This is not a reliable map." Without explanation, this statement 
is at least as unreliable as the map that it refers to and bound to confuse and 
alarm the user who - in the large majority of cases - finds himself/herself 
staring at a perfectly decent (reliable?) map.   
 
Luca

Luca Pellegrini
Department of Biochemistry
University of Cambridge
80 Tennis Court Road
Cambridge CB2 1GA - UK

Email: lp...@cam.ac.uk
Tel: 0044-1223-760469
Fax: 0044-1223-766002
Sanger building, room 3.59

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