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Hello David-- > I want to try refining an RNA structure (as a group of rigid > helices) using SAXS data within Xplor. I've tried working through the > examples that come with Xplor2.14 but can't see how to generate all > the input files needed. I did build a glob_def_RNA.dat file, > defining a glob on the base, the ribose, and on the backbone. > However, I cannot build the globbic scattering profiles, nor the > globbic correction function files. Am I missing something here? Can > anyone help me out with this. for detailed help generating input files for the XPLOR SAXS potential, please contact Alex Grishaev directly. I can provide detailed help with the Python SolnXRayPot term (which is faster by the way). This term can easily be incorporated into old XPLOR scripts. regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.2.2 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQFEHvsMPK2zrJwS/lYRAnPDAJ49AhCu8Vf6J/fCS4pusGm2bob0YwCfR4Fb 9j2jJjG6P6Vr1e/1cypZk/4= =aGuH -----END PGP SIGNATURE-----
