[phenixbb] RE : Equations of transformation

Alexandre OURJOUMTSEV sacha at igbmc.fr
Wed May 25 14:58:16 PDT 2011

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<http://www.deepdyve.com/search?author=Urzhumtseva%2C+L.M>; Urzhumtsev, A.G<http://www.deepdyve.com/search?author=Urzhumtsev%2C+A.G>
<http://www.deepdyve.com/lp/international-union-of-crystallography/tcl-tk-based-programs-ii-convrot-a-program-to-recalculate-different-2p0UINv8tV#0021-8898>Journal of Applied Crystallography<http://www.deepdyve.com/browse/journals/journal-of-applied-crystallography> , Volume 30 (3): 402
With best regards,

Sacha Urzhumtsev

De : phenixbb-bounces at phenix-online.org [phenixbb-bounces at phenix-online.org] de la part de Hena Dutta [hdutta10 at gmail.com]
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.
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