Description of the program from the Tensor website:
TENSOR2 allows the determination of the rotational diffusion tensor from three-dimensional structure coordinates and 15N relaxation data. Confidence in the various models available to describe the tensor is estimated using Monte-Carlo sampling methods in combination with appropriate kai^2 and F-tests, made possible by a highly efficient simulated annealing algorithm.
A graphical interface allows the visualisation of the orientation of tensorial components with respect to the three-dimensional coordinates of the molecule, and provides a graphical presentation of the statistical behaviour of the system.
Tensor now carries out an analysis of internal motion using the Lipari-Szabo or extended Lipari-Szabo type analysis. It's about time. This can either be performed using an isotropic rotor to describe rotational diffusion, or using the anisotropic tensor determined using a subset of spins, themselves assumed to have a negligible component to their internal motion. The internal mobility analysis is performed using the logic introduced by the NIH lab (Clore et al 1990),and reproduced by Professor Art Palmer's lab (Mandel et al 1995), sequentially fitting with more complicated models until the data are adequately reproduced. The confidence limits and uncertainty in the parameters are determined using a rapid monte-carlo based statistical analysis. As has been noted by numerous authors, the error function defined by the fitted internal mobility parameters {S2,ti} is highly non-linear when fitting R1,R2 and heteronuclear nOe. It is now possible to rapidly scan the monte-carlo simulations from the fit of each 15N site to check the definition of the optimised internal mobility parameters."
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