/AdK_analysis

Old Python scripts and libraries to analyze the simulations in Beckstein et al, J Mol Biol 394 (2009), 160.

Primary LanguagePythonGNU General Public License v3.0GPL-3.0

Python scripts for the analysis of AdK simulations

The code provided here was used for the analysis of the simulations described in

O. Beckstein, E. J. Denning, J. R. Perilla, and T. B. Woolf. Zipping and unzipping of adenylate kinase: Atomistic insights into the ensemble of open/closed transitions. J. Mol. Biol., 394(1):160–176, 2009. doi:10.1016/j.jmb.2009.09.009

The code is not maintained and is unlikely to work as it is ---there are many hard-coded assumptions or paths that were specific to this project. You are more than welcome to use bits and pieces but the authors DISCLAIM ALL WARRANTIES.

The code is made available under the GNU General Public License, v3 (see file LICENSE).

If you use code from this repository in academic work, please cite the above paper.

See also: