The Translation Function Output File
The following example file contains a complete translation function. It is written
as a Mathematica script file. The 3-dimensional matrix is written
in (
,
,
) levels.
(* Translation Function *)
rnumber= 289;
rave= 0.688;
rsigma= 0.088;
rmax= 1.000;
rmin= 0.461;
var={ "x", "y", "z" };
min={ -8.00000 , -8.00000 , 0.00000 };
max={ 8.00000 , 8.00000 , 0.00000 };
rf={
{
{
1, 2
},
{
3, 4
}
},
{
{ 3, 5
},
{ 6, 7
}
}
};
The values specified are the number of grid points (rnumber),
the average of the translation function (rave),
(rsigma),
maximum (rmax), and minimum (rmin) of the translation function, the
meaning of the three dimensions of the matrix RF (var), and the
minimum and maximum values of the three angular parameters. The
translation function itself is specified as a Mathematica list.
(The use of this file is described in Section 19.4.)
Xplor-NIH 2013-06-06