The Translation Function Listing

The following is an example of the list that is produced by the translation function:
 List of first    101 highest peaks
Orthogonal A coordinates   Fractional coordinates
T=(-2.  -3.   0.) TF=(  -0.233  -0.217   0.) T= 1.0000 P= 0.2667
T=(-2.   6.   0.) TF=(   0.092   0.433   0.) T= 0.9798 P= 0.2567
T=( 6.   2.   0.) TF=(   0.447   0.144   0.) T= 0.9526 P= 0.2767
T=( 6.  -8.   0.) TF=(   0.086  -0.577   0.) T= 0.9438 P= 0.2533
T=( 6.  -7.   0.) TF=(   0.122  -0.505   0.) T= 0.8834 P= 0.2483
T=( 3.   8.   0.) TF=(   0.476   0.577   0.) T= 0.8418 P= 0.2800
The grid points are sorted by value, with the highest peak listed first. The position of the molecule is given in both orthogonal and fractional coordinates. The value of the translation function and the corresponding packing value are listed in the last two columns.



Xplor-NIH 2023-11-10