On 16:04 Fri 28 Nov , Ethan A Merritt wrote: > On Friday 28 November 2008, Ben Akiyama wrote: > > I am measuring and comparing torsion angles in several solved > > crystal structures of RNA helices using AMIGOS. I was wondering if > > anyone knows of a program that can give me an idea of the error in > > these measurements based on coordinate error, b-factors, etc. > > If you mean real torsion angles, the only quantitative way to do this > is to do full-matrix refinement, invert the matrix, and derive error > estimates from the off-diagonal terms. That is not something you can > do after the fact from a previously refined structure.
I'm trying to answer a related question right now. Does anyone have a good feeling for how this method would compare with (1) propagated error from the coordinate esu and also with (2) repeated refinements using randomized coordinates against the same data set? -- Thanks, Donnie Donnie Berkholz Developer, Gentoo Linux Blog: http://dberkholz.wordpress.com
pgpnbZGcQtis8.pgp
Description: PGP signature
