I would really like to generate a fragment library from a metal binding peptide primary sequence (as in the metalloprotein_abrelax demo). I would like to generate a fragment library from a sequence like:
Possibly using chemical shift libraries as in Wang et al. (Prediction of structures of zinc-binding proteins through explicit modeling of metal coordination geometry, 2010, Protein Science).
Thanks! and all the best,
I don't know if you have solved your problem, but to generate a fragments library is necessary to remove the metal and only specify the positions of residues in the chain. It worked for me.