2 if ($1 == "ATOM" && $3 == "CA") {
4 x[nres] = substr($0,31,8)
5 y[nres] = substr($0,39,8)
6 z[nres] = substr($0,47,8)
8 # print "nres",nres," x",x[nres],y[nres],z[nres]
13 for (i=1;i<=nres;i++) {
15 dij = sqrt ((x[i]-x[j])^2+(y[i]-y[j])^2+(z[i]-z[j])^2)
19 for (k=0;k<=100;k++) {
21 # print k,dd,dij,dd-dij,(dd-dij)^2/(2*sigma^2)
22 if ((dd-dij)^2/(2*sigma^2)<100) hh[k] = hh[k] + exp(-(dd-dij)^2/(2*sigma^2))
28 for (k=0;k<=100;k++) {
30 nnorm = nnorm + hh[k];
32 for (k=0;k<=100;k++) printf("%10.5f%15.5e%15.5e\n",k+0.5,h[k]/norm,hh[k]/nnorm)