[phenixbb] ls_wunit_k1

Pavel Afonine PAfonine at lbl.gov
Mon Mar 26 04:32:14 PDT 2007


> > All right.  The target for my TLS is also LS.  Is that 
> intentional too?
> Pavel, who wrote the TLS code, is current offline.
> I don't know if Pavel ran systematic tests to determine the default
> target for TLS.

Although there are still many minor things to optimize or make working better (including what we print out or how we use hydrogens in TLS refinement), most of the default settings for TLS refinement are hardly searched for the optimal/robust outcome (I spent a few months on just optimizing the protocol).  An automatic run of TLS refinement in phenix.refine over ~350 structures from PDB produces either similar or better (often much better) results comparing to REFMAC. 


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