cyprinol.m

Spin system of cyprinol. Isotropic chemical shifts and J-couplings are taken from http://dx.doi.org/10.1002/mrc.4782 and, when not given there, estimated by tossing a twenty-sided coin.

Syntax

    [sys,inter,bas]=cyprinol()

Outputs

   sys   - Spinach spin system description structure

   inter - Spinach interaction description structure

   bas   - Spinach basis set description structure

Examples

HSQC spectrum simulation for cyprinol (examples/nmr_liquids/hsqc_cyprinol.m) appears below.

Notes

If you are looking for a test spin system, strychnine.m is a more complete alternative.

See also

gparse.m, g2spinach.m, strychnine.m, oparse.m, c2spinach.m, fatty_acid.m, gissmo2spinach.m, karplus_fit.m, killcross.m, killdiag.m, merge_inp.m, methyl_group.m, nuclacid.m, ocparse.m, parsexml.m, protein.m, read_bmrb.m, read_pdb_nuc.m, read_pdb_pro.m, v2spinach.m, weblab2nqi.m, x2spinach.m, Import,_export,_and_visualisation

Version 2.3, authors: Bud Macaulay, Ilya Kuprov