[phenixbb] Fw: Question related to Phenix refinement

Pavel Afonine pafonine at lbl.gov
Sun Feb 1 16:46:25 PST 2015


Hello Smith,

> Which strategy or parameter input can be used to reduce the rotamer 
> outliers? Which strategy or parameter input can be used to reduce the 
> bond outliers?
>
> For all the Phenix refine strategies, can you sequence it from rough 
> refinement to fine refinement in order?

I wonder why phenix.refine does not eliminate them as part of default 
run? Technically, it is supposed to do this.
Would you be willing to send me data and model files so that I can 
investigate?

Pavel

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