Identify High-Quality Protein Structural Models by Enhanced -Means

Algorithm 1

-means .

Input:    is the distance matrix for protein pairs; is the number of proteins; is the specified number

of the clusters;   is the center of the th cluster; indicates the th new cluster center.

Output: , the th cluster.

(1) ;

(2) ;

(3) while true do

(4)  for to do

(5)   for to do

(6)    ;

(7)   end for

(8)  end for

(9)  for to do

(10)   ;

(11)  end for

(12)  for to do

(13)   if = then

(14)    flag=true;

(15)   end if

(16)  end for

(17)  if flag= =true then

(18)   break;

(19)  else

(20)   for to do

(21)     ;

(22)   end for

(23)  end if

(24) end while

Output: