Hello users, Although there was already much discussion had been done on the procedure to construct DCCM map from covar.dat(i.e. output from g_covar) but still I am not clear with the step wise procedure to calculate the correlation matrix from covarience matrix(covar.dat).
1) It is stated in the previous posts that to calculate correlation matrix we have to divide each i,j-th element of the covariance matrix (covar.dat) by the sqrt of the ii-th and jj-th diagonal element, but how to get diagonal of a 865107X3 matrix??? 2) As given in the manual the order of elements in covar.dat is is: x1x1,x1y1, x1z1, x1x2, ... But I am not clear which are i,j-th ,ii-th and jj-th elements in covar.dat. My covarience matrix have 865107 rows and 3 columns and the total atoms are 537(sqrt( 865107 X 3) / 3=537 atoms) Can anyone suggest how to transform the covar.dat into correlation matrix. I am expecting the stepwise procedure to construct the correlation matrix and not the theory behind it as it already stated in the previous posts. -- ----------------------- *Regards,* Bipin Singh
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