Refmac should be able to do this without moving stuff too much. CNS
(no simulated annealing) also can do this kind of thing. If it
becomes problematic, you can restrain the backbone. You can also do
this via coot (which uses refmac I am pretty sure).
William G. Scott
Contact info:
http://chemistry.ucsc.edu/~wgscott/
On Jul 30, 2008, at 1:51 PM, Mirek Cygler wrote:
I am looking at a protein model (no electron density) that has a
highly
distorted helix. I would like to idealize this helix in the context
of the
protein, e.g. do least squares idealization with restrains on the
backbone
torsion angles, with the smallest possible divergence from the initial
structure. Could someone point me to program that can do it?
Mirek
