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Sorry for the misleading example for the maxima code:
you have to create a matrix from a,b,c (X: matrix(a,b,c)) and
left-multiply it with the matrix bb in order to make the coordinate
transformation.
Best,
Tim
On 11/05/2013 03:58 PM, Tim Gruene wrote:
> Dear Almudena,
>
> if I understand either documentation correctly, you have to
> multiply the XDS orientation matrix (from XPARM.XDS) from the left
> with [ 0 0 1 ] [ - 1 0 0 ] [ 0 - 1 0 ]
>
> (the z-axis in XDS becomes the x-axis in saint; the x-axis in XDS
> becomes y-axis in saint in opposite direction; the y-axis in XDS
> becomes the z-axis in saint in opposite direction).
>
> This provides you with a matrix ax ay az bx by bz cx cy
> cz i.e. row-wise the directions of a, b, and c in the saint
> coordinate system.
>
> - From a, b, and c you can calculate V = a.(b^c) and a*=(b ^ c)/V
> b*=(c ^ a)/V c*=(a ^ b)/V The saint matrix has these values column
> wise, i.e. a matrix a*_x b*_x c*_x a*_y b*_y c*_y a*_z
> b*_z c*_z
>
>
> The maths are easily done with the program maxima, once you know
> the syntax: bb: matrix([ 0,0,1], [-1,0,0], [0,-1,0]); a: [-2.372110
> , 1.479120, -10.597644]; b: [-12.481461, 2.100587,
> 1.965943]; c: [ -2.525253, 17.465330, -0.015521]; V: a.(b ~ c);
> astar: (b ~ c)/V; # etc.
>
> Good luck,
>
> Tim
>
> On 11/05/2013 02:29 PM, Almudena Ponce Salvatierra wrote:
>> Hi everyone,
>
>> I would like to know how to change matrix format from the one I
>> get out of XDS to the one that comes out of SAINTS. Or the other
>> way around.
>
>> My question is: is the beam along the same axis in both matrices?
>> as well as the rotation axis and the third axis?
>
>> How can I convert one into the other one?
>
>> Thank you very much in advance.
>
>> Best wishes,
>
>> Almudena.
>
>
>
- --
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
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