poli.objective_repository.foldx_sasa.register#
Registers the SASA FoldX black box and objective factory.
FoldX [1] is a simulator that allows for computing the difference in free energy between a wildtype protein and a mutated protein. We pair this with biopython [2] to compute the SASA of the mutated protein.
- [1] Schymkowitz, J., Borg, J., Stricher, F., Nys, R., Rousseau, F.,
& Serrano, L. (2005). The FoldX web server: an online force field. Nucleic acids research, 33(suppl_2), W382-W388.
- [2] Cock PA, Antao T, Chang JT, Chapman BA, Cox CJ, Dalke A, Friedberg I,
Hamelryck T, Kauff F, Wilczynski B and de Hoon MJL (2009) Biopython: freely available Python tools for computational molecular biology and bioinformatics. Bioinformatics, 25, 1422-1423
Classes
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A black box implementation for computing the solvent accessible surface area (SASA) score using FoldX. |
Factory class for creating FoldX SASA (Solvent Accessible Surface Area) problems. |