ISD

ISD (Inferential Structure Determination)

is the software package implementing the first fully Bayesian approach to structure determination from NMR data and the prior knowledge on biomolecules. It has no free parameters and provides you with the uncertainly of your structure, in the sense of an error bar. It uses available information in an optimal way (increases structural precision and accuracy).

If you use ISD, please quote the following references:

1. Wolfgang Rieping, Michael Habeck, Michael Nilges (2005):

Inferential Structure Determination. Science 309:303-306

2. Michael Habeck, Michael Nilges, Wolfgang Rieping (2005):

Replica-Exchange Monte Carlo Scheme for Bayesian Data Analysis.

Phys. Rev. Lett., 94:018105