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pKa for Cys-Cys #146

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ABrown-AbSci opened this issue Aug 2, 2022 · 0 comments
Open

pKa for Cys-Cys #146

ABrown-AbSci opened this issue Aug 2, 2022 · 0 comments

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@ABrown-AbSci
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Hello,

I am interested in calculating the pKa for cysteines in a disulfide bridge, as if they were not in the bridge. The default behavior for propka is to give the value as 99.99, which is reasonable. But is there a way to override this behavior from the CLI? If not, which scripts/classes should I look at in the module that are responsible for this behavior so I can modify the script locally?

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