On Mon, 2012-01-09 at 10:28 +0000, Guillaume Gotthard wrote: > Is there a mean to obtain statistics about R-Sym for deposited > structures databases ?
1. It's actually quite easy to do on your own if you want. This one-liner will get you the Rsym wget http://www.rcsb.org/pdb/files/XXXX.pdb?headerOnly=YES -O - -q | grep 'R SYM ' | cut -d: -f 2 just replace the XXXX with the uppercase pdb id. I don't know what kind of statistics you want, but assuming that you are after resolution dependence, you can do this wget http://www.rcsb.org/pdb/files/XXXX.pdb?headerOnly=YES -O - -q | egrep 'R SYM |RESOLUTION RANGE HIGH \(' | cut -d: -f 2 | tr -d '\n' | tr -s ' '; echo 2. Beware that for probably the majority of the records you will get NULL as the answer. Using "R MERGE" instead of "R SYM" would result in a better outcome. 3. In any event, this is, imho, rather pointless. Rsym/Rmerge strongly depend on multiplicity/resolution cutoff, thus their values across the PDB don't really tell you much. Maybe this is why the PDB report generator does not even list it as the option under "Data collection". Maybe it's time for the PDB to start asking the depositors to provide the Rpim instead. Well, maybe this is 10 years overdue. Cheers, Ed. -- Oh, suddenly throwing a giraffe into a volcano to make water is crazy? Julian, King of Lemurs
