Question for the NMR/Internet enthusiasts out there:
Do you know of an online calculator that calculates the dihedral angles from the coupling constants using the modified Karplus equation (Haasnoot et al.)? There are several sites that have calculators which do the opposite, namely calculate the J from the dihedral angle using the modified Karplus. Also the calculator has to use the modified Karplus, which has six parametrized terms that depend on substituents.
Suggestions will be strongly savoured.
Kurt Gödel's Open World
1 day ago in The Curious Wavefunction