Hi Paul, thanks for the quick reply, that was very helpful. I agree that normally rigid body refinement of each chain wouldn’t be very useful - I’m using this script in a situation where we have a large complex of many subunits that we need to fit to a quite low-resolution map (of a related complex from another species), and an initial round of rigid body fitting seemed to be helpful on individual chains but was quite laborious when performed manually for each chain. This script seemed to help with that, and I was adding morph_fit_chain in the hope that it would correct errors in the curvature of helices, or the orientation of two domains within a multi-domain protein.
Yes, that was the problem - It works when I replace chain_id with ch_id. So you would suggest calling morph_chain several times in succession? That makes sense, because the modifications from one round were quite subtle. I’ll give it a go with 5-10 rounds and see how it works. Thanks, Oliver. On Dec 28, 2013, at 9:09 PM, Paul Emsley <pems...@mrc-lmb.cam.ac.uk> wrote: >> i
