[phenixbb] special positions

Pavel Afonine pafonine at lbl.gov
Tue Jun 17 23:28:20 PDT 2014

Hi Yarrow,

ok, I wish that error message (that I put a while ago, in 2009 to be 
precise) lists those atoms... Can you send me the file so I can tell you 
what these atoms are?

In general, if at rigid-body refinement stage you have atoms at special 
positions it is unlikely to be right.


On 6/17/14, 12:56 PM, Yarrow Madrona wrote:
> Hi,
> I am trying to do rigid body refinement, however I get an error in 
> phenix telling me that there are atoms at special positions.
> I am not sure how to determine which atoms are at special positions so 
> that I can exclude them from rigid body refinement. Can someone help 
> me with this? Thank you.
> -Yarrow

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