AnalyseComplex and Pssm pyFoldx function names?

leandroradusky / pyfoldx

pyFoldX: python bindings for FoldX.

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AnalyseComplex and Pssm pyFoldx function names? #2

Closed Ni-Ar closed 2 years ago

Ni-Ar commented 2 years ago

Hi Leandro,

I'd like to use pyFoldx, especially for the FoldX commands AnalyseComplex, Pssm, and BuildModel.

Looking at your notebooks I assume the function .mutate() is the equivalent of foldx5 --command=Pssm, right? What about the others?

If there's a "cheat-sheet" with the 1:1 correspondance between FoldX commands (like those here) and the pyFoldX function names, I can take a look there.

Thanks a lot, Nicco

Ni-Ar commented 2 years ago

I dug up in the code and found:

.getComplexEnergy() -> AnalyseComplex
.getPSSM() -> Pssm
.getMutants() -> BuildModel

All good! Thanks for packaging up FoldX in python! Nicco