[phenixbb] no shift with rigid body

whittle whittle at MIT.EDU
Mon Nov 3 09:30:22 PST 2008


Hi Pavel,

Here they are. It's a polyalanine model built manually, so it may be
that the large shifts have to do with the room that is left for movement
of the various helices.

Best,
James


On Mon, 2008-11-03 at 09:30 -0800, Pavel Afonine wrote:
> Hi James,
> 
> could you send us the data and model so we can optimize our rigid body
> refinement protocol even more to automatically handle cases like
> yours. We promise to keep your data confidential. If you decide to
> send the data, please send it to my address (not to the phenixbb).
> 
> Thanks!
> Pavel.
> 
> 
> On 11/3/2008 6:27 AM, James Whittle wrote: 
> > Hi- 
> > 
> > I'm trying to do rigid body refinement against 3.5 A SeMet data,
> > using a rigid_body group for each helix in the protein. The log file
> > and the pdb results both report shifts for each of the rigid body
> > groups, yet the coordinates overlay perfectly with the input
> > coordinates. 
> > 
> > Can any one suggest what I might be doing incorrectly? 
> > 
> > --James
> > 
> > 
> > 
> > ____________________________________________________________________
> > 
> > _______________________________________________
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> > phenixbb at phenix-online.org
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