This module implements the RAInDrOPS algorithm for segmenting protein complexes optimally into rigid bodies, based on experimental distance and/or contact data, prior to structural sampling. Currently, only chemical crosslinks are utilized to dissect complexes into rigid bodies for integrative modeling, but other distance data can be easily incorporated. The rigid body definitions are presented as a text file in a format nearly similar to PMI topology files, which can be manually edited to easily construct more complex topologies.
Note, this module is not Python-2 compatible.
RAInDrOPS represents protein complexes as undirected graphs, and so makes heavy use of networkx and the Bio.PDB library from Biopython. The dill package is used for serializing graph structures for I/O.
Author(s): Tanmoy Sanyal
Maintainer: tanmoy7989
License: GPL This library is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version.
Publications: None yet.