Dear Hena,

a description of various transformations that are in use in crystallography and corresponding matrices can be found in the article

Tcl/Tk-based programs. II. CONVROT: a program to recalculate different rotation descriptions

Urzhumtseva, L.M; Urzhumtsev, A.G
Journal of Applied Crystallography , Volume 30 (3): 402
With best regards,

Sacha Urzhumtsev



De : [email protected] [[email protected]] de la part de Hena Dutta [[email protected]]
Date d'envoi : mercredi 25 mai 2011 20:41
À : PHENIX user mailing list
Objet : [phenixbb] Equations of transformation

Dear Members,

Sorry, if my question is out of the field.

I want to know the mathematical relations between 2 sets of co-ordinates, one before and one after the rotation. I used COOT to rotate the side chain (containing atoms N1, C2, N3,  C4, C5, C6, N6, N7 and C8) of Adenine by 180 degree about the glycosidic bond (C1’-N9). How the initial co-ordinates (Xi, Yi, Zi) and final co-ordinates (Xf, Yf, Zf) are mathematically related? I shall be very grateful if someone can tell me the equations. 

Regards...

Hena