Hi, Pavel. That's good to know. (Not pressure you, but) any idea roughly when that will be? -Anna On Thu, Aug 14, 2008 at 5:32 PM, Pavel Afonine wrote:

Hi Anna,

Are they very different? I can easily change the code so phenix.refine makes them identical. The question is do we really need it? I'm not arguing but just asking.

A quick sampling of a handful of residues showed that the separation at SER and THR HG/DG positions ranged from 0.37 to 1.2 Angstroem. It seems to me that those values are too high and that there does need to be a way to constrain them to (or at least restrain them toward) zero. The separation at the amide positions was much less - 0.04-0.06 Angstroem.

OK, I will add an option to do this. It will appear in one of the next PHENIX releases.

Please let me know if you have any other questions or problems!

All the best, Pavel.