Hi Qiang,
> The input of carnal is as the following:
TABLE tb1 sm1.rms;
TABLE tb2 sm2.rms;
TABLE tb3 sm3.rms;
TABLE tb4 sm4.rms;
TABLE tb5 sm5.rms;
DECLARE
GROUP grp ((ATOM NAME CA C O N)&(RES 1-194)); RMS fit FIT grp s1 ref_set;
GROUP g1 ((RES 1)&(ATOM NAME CA C O N)); RMS fit1 g1 fit;
GROUP g2 ((RES 2)&(ATOM NAME CA C O N)); RMS fit2 g2 fit;
GROUP g3 ((RES 3)&(ATOM NAME CA C O N)); RMS fit3 g3 fit;
GROUP g4 ((RES 4)&(ATOM NAME CA C O N)); RMS fit4 g4 fit;
GROUP g5 ((RES 5)&(ATOM NAME CA C O N)); RMS fit5 g5 fit;
OUTPUT
TABLE tb1 fit1;
TABLE tb2 fit2;
TABLE tb3 fit3;
TABLE tb4 fit4;
TABLE tb5 fit5;
END
You could put all the data in 1 table if you wanted - e.g.
"TABLE tb1 fit1 fit2 fit3 fit4 fit5;"
The way to get global rms followed by rms for each residue into
one file would be "TABLE tb1 fit fit%residues;"
Bill
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Received on Wed May 19 2004 - 22:53:00 PDT
