Structure and Function of the Nuclear Pore Complex Cytoplasmic mRNA Export Platform

These scripts demonstrate the use of IMP, MODELLER, and PMI in the modeling of the Nup82 complex using DSS/EDC chemical cross-links and electron microscopy (EM) 2D class averages.

First, MODELLER is used to generate initial structures for the individual components in the Nup82 complex. Then, IMP is used to model these components using DSS/EDC crosslinks and the electron microscopy 2D class averages for the entire Nup82 complex.

The modeling protocol will work with a default build of IMP, but for most effective sampling, IMP should be built with MPI so that replica exchange can be used.

For more information about how to reproduce this modeling, see the Sali lab website or the README file.