[phenixbb] Fixing a ligand by a symmetry axis
Pavel Afonine
pafonine at lbl.gov
Wed Nov 3 10:04:26 PDT 2010
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
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