conkit.misc.energyfunction module¶
Energy function templates for restraint generation
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class
RosettaFunctionConstructs
[source]¶ Bases:
object
Storage for string formats of different Rosetta energy function constructs
For more information on the different energy functions, please refer to the corresponding references or the official RosettaCommons documentation
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BOUNDED_default
¶ Simple bounded energy function
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BOUNDED_gremlin
¶ Energy function according to [1]
References
[1] Ovchinnekov et al. (2015). Large-scale determination of previously unsolved protein structures using evolutionary information. Elife 3(4), e09248.
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FADE
¶ Energy function according to [2] and [3]
References
[2] Simkovic et al. (2016). Residue contacts predicted by evolutionary covariance extend the application of ab initio molecular replacement to larger and more challenging protein folds. IUCrJ 3(Pt 4), 259-270. [3] Michel et al. (2014). PconsFold: improved contact predictions improve protein models. Bioinformatics 30(17), i482-i488
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FADE_default
¶ Energy function according to [4]
References
[4] Michel et al. (2014). PconsFold: improved contact predictions improve protein models. Bioinformatics 30(17), i482-i488
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SIGMOID_default
¶ Simple sigmoidal energy function
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