Fortran 90 toolkit for application of elastic network models to proteins in the crystalline state. I wrote this as a NLM postdoctoral trainee in the laboratory of George N. Phillips, Jr from 2007-2010.
TODO: Write testing framework, Refactor, DOCUMENT.
Dependencies:
- ARPACK: http://www.caam.rice.edu/software/ARPACK/
- CrysFML: http://www.ill.eu/other_sites/fullprof/php/programs24b7.html?pagina=Crysfml
- Lapack95: http://www.netlib.org/lapack95/
I will push programs that use the library as I clean them up. Contact me if you are interested!
A contact got me this far!
if used productively, please cite:
Riccardi D., Cui Q., Phillips Jr. G. N., “Application of elastic network models to proteins in the crystalline state”, Biophys. J., 96, 464 (2009)
Riccardi D., Cui Q., Phillips Jr. G. N., “Evaluating elastic network models of crystalline biological molecules with temperature factors, correlated motions, and diffuse X-ray scattering”, Biophys. J., 99, 2616 (2010)
Copyright (C) 2013 Demian Riccardi <demianriccardi@gmail.com>
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