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Hello Ramon-- > > I am doing a RDC-refinement of an RNA molecule. > > In Xplor I incorporated these values: > sani coef 0.0 -51.72 0.14 > (first number is addition (a0), second number anisotropy, and third > rhombicity) > > In my refinement script I have a floating alignment tensor. > After refinement I do a backcalculation, and see a correlation between > the experimental and backcalculated values of 0.997 ! > that does seem a bit too good to be true. This is most likely caused by an unphysical configuration of the tensor atoms. Please make sure that the pseudo-atoms representing the tensor orientation make up an orthogonal set of axes. i.e. (X-O) dot (Y-O) = 0 and so on. By the way, this type of error is not possible if the Python interface is used (correctly). regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQFFh/+TPK2zrJwS/lYRAu0+AJ9PRtHVAaJyPbiPp+PXlQ6tZoKBMgCeP8qQ 7ldwMTsBwQxs3feP4ud2oA0= =RfU9 -----END PGP SIGNATURE-----
