Neutralize the C and N termini

Member Site Forums PyRosetta PyRosetta – General Neutralize the C and N termini

Viewing 1 reply thread
  • Author
    Posts
    • #991
      Anonymous

        Is there a way to neutralize the charges on the C and N termini of a molecule in PyRosetta? I can’t seem to find an option to do so, unless the best way is to create custom residues.

        Thanks.

      • #5932
        Anonymous

          I’m not sure how to do it in PyRosetta. You shouldn’t need whole custom residues; there are patches in the database (chemical/residue_type_sets/fa_standard/patches). I don’t know that we have a patch for the non-zwitterionic protein, since that’s not very physically plausible, but there are end patches for methlyation, etc. Patches are most easily de-applied and re-applied with code in core/chemical/util.hh, but I’m not sure what python functions those map to.

      Viewing 1 reply thread
      • You must be logged in to reply to this topic.