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Hi Paul-- > I have a question about the way assignments are done in the SANI with > reguard to RDC's. The question revolves around RDC's from methylene > groups. If the RDC's are measured such that the splitting in the HSQC > is in the F1 dimension and reflects the 1DCHa + 1DCHb, how is the > assignment written in the script in the SANI structure refinement? > There are places for six assignments with only two relative to the > carbon-hydrogen assignments. How do you tell SANI that it is an RDC > that has multiple hydrogen assignments? You can't use the SANI term for this. Instead use the XDIPO XPLOR term or the Python interface. The assignment statement is the same as for a single atom- but a wildcard should used in the proton selection, and SUM averaging should be used. Examples of dipolar coupling averaging can be found in eginput/sry/sry_from_template.inp and eginput/dna_refi/refine_full.py some discussion about this can be found here: http://nmr.cit.nih.gov/pipermail/xplor-nih/2003-December/000130.html regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.3 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQFEdIjWPK2zrJwS/lYRAkl+AJ9XVp9vTxJfh+ZBtthPhzli7HlJ6QCfaEK6 Y+9cuJtwgIqRyZLprT6hmos= =vYjo -----END PGP SIGNATURE-----
