Cstab: Difference between revisions
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Synopsis: cstab(''integer'',''integer'') = ''real'' | Synopsis: cstab(''integer'',''integer'') = ''real'' | ||
Latest revision as of 19:18, 28 January 2009
cstab
Synopsis: cstab(integer,integer) = real
This function returns chemical shift statistics data stored in the residue library. The first argument can take the values 1, 2, 3 or 4 to request either the average value, the standard deviation, the minimal value or the maximal value of the chemical shift of the atom selected with the atom index given as the second argument. The function returns 999.0 if no statistical data is available for the chemical shift of the atom.
Optionally, the integer atom index of the second argmuent can be replaced by a string consisting of the atom name and the residue number, separated by a blank or a period, ..