[phenixbb] Refinement differences?

Mark A Saper saper at umich.edu
Wed Feb 10 09:19:45 PST 2016

Hi Eckhard,

Thanks for commenting on this.  Unfortunately the data is not good, so I am cutting it off at 2.6 Å resolution.  I probably won’t completely refine this structure.  It does have 2 molecules in different conformations in the asymmetric unit so I could try NCS.


On Feb 10, 2016, at 10:51 AM, phenixbb-request at phenix-online.org wrote:

> From: Eckhard Hofmann <eckhard.hofmann at bph.ruhr-uni-bochum.de>
> Subject: Re: [phenixbb] Refinement differences?
> Date: February 10, 2016 at 10:51:08 AM EST
> To: phenixbb at phenix-online.org
> Dear Mark,
> there were chances to the geometry restraints which most likely would affect your refinement.
> Do you have NCS in your refinement? This has been overhauled completely, and is currently not very verbose.
> Generally I would not be very concerned about the exact values, given changes in the program. And it looks to me that you are not yet at the final point of refinement anyway.
> What is your resolution?
> All the best,
> Eckhard

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