This demonstrates the use of IMP and PMI in the modeling of a human integrin. The integrin is modeled partly with low-resolution beads, and partly as idealized helices. We attempt to reconstruct the native structure (PDB entry 2k9j) using cross link data.
To run, simply run the integrin_modeling.py Python script.
On successful completion, output files (the top-scoring models in PDB format,
a trajectory in RMF format, and
statistics files) will be found in the output directory. See the
IMP tutorial
for a full description of these outputs.
Author(s): Riccardo Pellarin
License: LGPL. This library is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version.