On 07/11/15 05:47, Göttig Peter wrote:
> Why on earth is the rsrz score one of 5 criterions for a good PDB? There is no way to calculate it on your own and the proponents, like G. Kleywegt who inititated it, have their server (UPPSALA eds) since 2004 not available for individual uploads. It would be acceptable, if the REAL SPACE R-Factor would be one of these criterions, in case REFMAC5, PHENIX (or CNS) would calculate it, but no one bothers to implement it in a user-friendly way (CNS might be an exception). In CCP4 overlapmap yields only nonsense values these factors.
>
> Peter
>
I do make a suggestion: Some people like to set the rules regardless of logic or even any future consequences. The only thing that matters is that they control the situation and can impose whatever they want on others once these rules have been established. And my feeling is that this is exactly the point of introducing the rsrz score. It would be completely logical to use real-space r-factors, since some programs do real-space refinement. However, I do not see that REFMAC5 does it, and in other programs it is only an option.
Peter
May I suggest that you simply do not use any software you don't like?
And if you don't like some people, please talk to them directly, in
private, rather than via this bulletin board. I mainly follow this list
to learn things about today's crystallography, not about crystallographers.
Greetings
Gert Vriend
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