Sophe Computational Software Suite

The Molecular Sophe software suite consists of a graphical user interface, the computational program Sophe, and a variety of software tools (XeprView , 

Centre tor Magnetic Resonance University of Queensland, Australia 

Molecular Sophe tnitiallsalion Complete Select Project 

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Hanson GR, Gates KE, Noble CJ, Griffin M, Mitchell A, Benson S (2004) XSophe-Sophe-XeprView (R). A computer simulation software suite (v. 1.1.3) for the analysis of continuous wave EPR spectra. J Inorg Biochem 98 903-916... 

Representations in the Linewidth Parameter Form (Fig. 19) include orthorhombic, axial, and isotropic symmetries. Units inelude MHz, 10 em , and nanoseeonds (nsec), the latter being more appropriate for pulsed EPR speetra. For pulsed EPR spectra we also include the nuclear spin-spin relaxation time T. Addition of a more a generalized linewidth model involving a distribution of spin Hamiltonian parameters and positional coordinates (bond lengths and orientations) is forthcoming. The approach will be similar to that employed for the D- and. E-strain linewidth model in the XSophe-Sophe-XeprView computer simulation software suite. 

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