Reply To: Using Degenerate Protons in Rosetta3.x

[Anonymous]

Can you post your constraint file for me to look at?

I’ve never tried using sections for anything (unless the standard ambiguous constraint I mentioned counts). The constraints themselves are a mess of different compatibilities – some can be read in from a file, some must be constructed in code. I always get the “NO_SECTION” statement and it works anyway.

I was wrong (misled by poor naming schemes) about how the inheritance hierarchy works for these constraints. The inheritance is irrelevant to the function here anyway. I think the ambiguity is only with respect to interpreting HG1 for HG11; HG12; HG13. The near-total lack of documentation and commentary doesn’t make interpreting it any easier.