CCL Home Page
Up Directory CCL stat
Distances and weighted distances between fitted atoms
Ref.At. Fit.At.  Distance  Dist*sqrt(weight)  weight
    1      1     0.008936      0.008936       1.000000
    2      2     0.012216      0.012216       1.000000
    3      3     0.006826      0.006826       1.000000
    4      4     0.009994      0.009994       1.000000
    5      5     0.027208      0.027208       1.000000
    6      6     0.012966      0.012966       1.000000
    7      7     0.014279      0.014279       1.000000
    8      8     0.017606      0.017606       1.000000
    9      9     0.012208      0.012208       1.000000


Weighted root mean square=  0.014708



Center of reference molecule fitted atoms
Xc =   -0.059431 Yc =   -0.233356 Zc =    0.888992


Center of fitted molecule fitted atoms
Xc =    0.234606 Yc =   -0.271754 Zc =    0.890395


Left rotation matrix
    0.455058    -0.310958     0.834403
    0.360812     0.921064     0.146478
   -0.814087     0.234407     0.531335

Dot product of normal modes on fitted atom pairs =  -0.596609
Modified: Fri Aug 8 17:55:35 2003 GMT
Page accessed 4834 times since Sat Apr 17 21:33:05 1999 GMT