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?
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?