DECLARE
GROUP grp1 ( (ATOM NAME N CA C O) & (SOLUTE) );
RMS fit1 FIT grp1 s1 ref_set;
OUTPUT
TABLE tbl fit1%residues ;
> TABLE tbl fit1%residues ;
residue 1 is only partially covered
For %residues your GROUP statement needs to define
all atoms in each residue. So just using SOLUTE
should work. In retrospect, it would have been a
good idea to allow per-partial-residue RMS.
Bill Ross
Received on Sun May 13 2001 - 10:28:05 PDT
