On 03/16/2015 05:37 PM, seven32 wrote:
> Thank you to Rolf, Angel and Richard for answers!
> I will certainly use "zoomto" command.
> But just for my education - is there any way to get "current" coordinates
> of particular atom, which theoretically makes possible (because we know
> coordinates of the center) to calculate desired rotation?
>
I don't know any direct way. But I would expect you could calculate them
by using the output of the 'show orientation' command which should
contain all necessary transformation information and the stored coordinates.
----- Example 'show orientation' output --------------
moveto /* time, axisAngle */ 1.0 { 481 -799 -360 136.26} /* zoom,
translation */ 103.15 0.0 0.0 /* center, rotationRadius */
{3.183973720608574 4.605277835407999 -46.99258592669444}
57.64778876670061 /* navigation center, translation, depth */ {0 0 0} 0
0 0 /* cameraDepth, cameraX, cameraY */ 3.0 0.0 0.0;
#OR
#Follows Z-Y-Z convention for Euler angles
reset;center {3.183973720608574 4.605277835407999 -46.99258592669444};
rotate z 107.01; rotate y 119.91; rotate z 169.14; zoom 103.15;
------------------------------------------------------
The stored coordinates can either be queried as point information (e.g.:
"atomCoordinates={resno=1}.xyz;") or by accessing the individual values
(e.g.: x={resno=1}.x; y={resno=1}.y; z={resno=1}.z;).
----- Variable content ('show atomCoordinates;' etc.) ---------
atomcoordinates = {9.162916666666668 10.559083333333332 -48.26691666666667}
x = 9.162916666666668
y = 10.559083333333332
z = -48.26691666666667
---------------------------------------------------------------
Regards,
Rolf
--
Rolf Huehne
Postdoc
Leibniz Institute for Age Research - Fritz Lipmann Institute (FLI)
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