Dear programmers - Phil Evans writes in acta D57 1355 (2001) on p 1358 section 5.2: "....the convention used in AMoRe (Navaza, 1994) and other CCP4 programs (Collaborative Computational Project, Number 4, 1994) is to rotate by gamma around z, then by beta around the new y, then by alpha around the new z again, R = Rz(al)Ry(be)Rz(ga)"
This seems correct, as the first rotation is applied first to vector x, then the second to the new one, etc, thus x' = (Rz(al)(Ry(be)(Rz(ga)x))) In J.Appl.Cryst. 30 402-410 (1977) in the convrot description, Sascha Uzhumtsev lists in table one for (Navaza 1994): alpha about Z, beta about Y and gamma about new Z and gives the *same* resulting rotation Rz(al)Ry(be)Rz(ga) This seems to be a contradiction I cannot resolve? Thx, br ----------------------------------------------------------------- Bernhard Rupp 001 (925) 209-7429 +43 (676) 571-0536 [EMAIL PROTECTED] [EMAIL PROTECTED] http://www.ruppweb.org/ ----------------------------------------------------------------- People can be divided in three classes: The few who make things happen The many who watch things happen And the overwhelming majority who have no idea what is happening. -----------------------------------------------------------------