[phenixbb] Fixing a ligand by a symmetry axis

[Pavel Afonine]

  Hi Simon,

you may find this helpful:

http://www.phenix-online.org/pipermail/phenixbb/2009-December/003070.html

Pavel.

On 11/3/10 9:41 AM, Simon Kolstoe wrote:
> Dear Phenix bb,
>
> I have a palindromic ligand bound to my protein that crosses a 
> symmetry axis. Although the head-group that is in close contact with 
> the protein refines beautifully (in phenix..refine version 1.6.4 run 
> from the command line on a mac), the atom closest to the symmetry axis 
> get knocked away from the equivalent atom that it binds to on the 
> other side of the symmetry axis. Is there any way of stopping 
> phenix.refine from refining the atoms closest to the symmetry axis, or 
> should I just manually position the wayward atom in the appropriate 
> orientation prior to my structure deposition?
>
> Thanks,
>
> Simon