Draft: Add pKa and hydrophobicity to amino acid #66
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The trait proposed here allows for implementing the pKa basic behaviour for any pKa source and for any AminoAcid type. This should be generic enough for it to work for most use cases. I have some questions on how this should handle modifications, right now it takes a list of @di-hardt I remember something about triplet or even quadruplet lookup tables for pKa values, should we think about some structure to allow that? Then some more things that need to be done are more documentation, placing this into a separate file, and the implementation for the |
In regard to issue #65
Made a small beginning to implement this issue but @douweschulte mentioned that you (@di-hardt) might have some code laying around that is similar to what I'm trying to do. Do you have something by any chance? Or some ideas on how to implement this? @douweschulte is already thinking about how to mold this into a trait (with IdentifiedPeptides).
My current idea is to make a separate module with these static tables and the pka function would work as a table lookup function basically. I would implement something similar for the hydrophobicity.