MultiFit is a computational method for simultaneously fitting atomic structures of components into their assembly density map at resolutions as low as 25A. The component positions and orientations are optimized with respect to a scoring function that includes the quality-of-fit of components in the map, the protrusion of components from the map envelope, as well as the shape complementarity between pairs of components. The scoring function is optimized by an exact inference optimizer DOMINO that efficiently finds the global minimum in a discrete sampling space.

For more information please see the Multifit website.

See the IMP::cnmultifit module for a similar protocol for handling symmetric complexes.

Generally, this module is not used directly; instead, the multifit.py application is used.

Info

Author(s): Keren Lasker

Maintainer: benmwebb

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.

Publications:

Keren Lasker, Maya Topf, Andrej Sali, Haim J. Wolfson, “Inferential optimization for simultaneous fitting of multiple components into a cryoEM map of their assembly”, Journal of Molecular Biology, 2009.