yalini.pathy@yale.edu wrote: > I have a top file from Modeller v6.0 (or possibly older). The top script defines > a tetramer and then applies alpha-helical restraints to the same residue range > in each monomer. I have been trying to convert this to use with the newest > version of Modeller. I've been unsuccessful so far - might someone be able to > help please?
The attached Python script should do pretty much what you want (caveat: it's untested). A couple of things that I changed:
1. There were a whole bunch of unnecessary ENERGY and OPTIMIZE commands in your script, which I removed.
2. Symmetry restraints are slow to evaluate, so I reduced them to the minimal A=B, B=C, C=D, D=A set (the original script also had A=C and B=D, which are not necessary).
Ben Webb, Modeller Caretaker