[phenixbb] DEN refinement

Morten Groftehauge mortengroftehauge.work at gmail.com
Fri Nov 30 03:50:56 PST 2012

Hi guys,

Two quick questions about DEN refinement:
1) If gamma refines to 0 does that mean that I should run DEN refinement
again with the output model? Or should I do a refinement and then another
DEN? Since gamma = 0 the refinement should be allowed a possibility of
moving the structure further towards the reference restraints in my mind.
2) If gamma refines to 1 it means that my reference model is inappropriate,
right? Not really much of a question, I know.

And I know that DEN refinement is in beta but it would be nice if you
outputted the optimal gamma and weight for the refinement to the GUI.
Actually it would be nice if the did that for geometry weights and xray
weights too when one optimizes them.


Morten K Grøftehauge, PhD
Pohl Group
Durham University
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