Integrative Structure Determination files:
To use this software you need a special version of HADDOCK. See for that the README file under the HADDOCK2.3-nmol directory.
The additional scripts to perform analysis and model selection in the HADDOCK2.3-nmol framework are located under
See the README file in that directory.
Starting structures, restraints files, and final models for each benchmark case are given under
the respective folder in
cases/. Each case also contains an example
new.html and instructions about specific HADDOCK parameter settings.
Finally, statistics within this framework are calculated using Matlab, although in principle any other statistics toolkit/programming language can be used instead.
If you use this software in your work, please cite us:
Karaca, E., Rodrigues, J.P.G.L.M., Graziadei, A., Bonvin, A.M.J.J., and Carlomagno, T. (2017). M3: an integrative framework for structure determination of molecular machines. Nat Meth 14, 897–902 doi:10.1038/nmeth.4392