wxc_scale automatically doubled during the refinement

8 Sep
2008
8 Sep
'08
7:43 p.m.
Dear phenix users, I've observed that in phenix 1.3 final if I specify wxc_scale the value is automatically doubled in every successive macrocycle. For example if I set wxc_scale=0.9 at the beginning, it becomes 1.8, 3.6, 7.2, 14.4 ... at macrocycle 2, 3, 4, 5 ... Is this normal? This was not found in phenix 1.3 rc4 on the same machine. Thanks! Yen-Ting

5 Oct
5 Oct
6:11 p.m.
Yen-Ting, it is OK of it does not screw up the Rfree, Rfree-Rwork and expected geometry deviations at given resolution. I will add an option so one can disable this behavior. Please let me know if this causes any problem. Pavel. On 9/8/2008 7:43 PM, yentingl@gate.sinica.edu.tw wrote:
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Pavel Afonine
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yentingl@gate.sinica.edu.tw