Cheshire is a procedure to compute the 3D structure of proteins using, as unique experimental input, NMR chemical shifts. See:

Protein structure determination from NMR chemical shifts
A Cavalli, X Salvatella, CM Dobson, M Vendruscolo - PNAS 104, 9615-9620, 2007.

Before you start

Cheshire is still actively developed. The version you download from here may, therefore, deliver results that differ (slightly) from those of the reference paper.


CHESHIRE may be used from the command-line or trough a GUI based application called Aqva. To keep things simple they are distributed as a bundle. See below for instructions how to compile either variants.

Sources and installation instructions can be found here.


An introduction to the usage of cheshire may be found here or accessed directly trough Aqva.

Andrea Cavalli
Last modified: Wed Sep 17 15:42:30 CEST 2008

Copyright © 1999-2008 Andrea Cavalli