[phenixbb] Maximum Entropy Maps

Pavel Afonine pafonine at lbl.gov
Thu Feb 14 07:50:04 PST 2013

Hi Morten,

the plan was to describe it in January issue of CCN newsletter article 
but I did not make it by the deadline.

The algorithm implemented in Phenix is fast: it should take from a few 
seconds for small structures to a few minutes for large ones. I do not 
understand why it should take long time to run (as pointed out in that 
Acta D paper).

I would be interested to know your experience with this tool.


On 2/14/13 6:25 AM, Morten Groftehauge wrote:
> Hi guys,
> I see that phenix.maximum_entropy_map is now a command in Phenix.
> Some quick questions: Where is this likely to be must useful and does 
> it take ridiculously long to run? From the Nishibori 2008 paper in 
> Acta D it seems like this would mainly be useful for very high 
> resolution structures that you would normally call complete - and that 
> it would take a very long time to compute.
> I love trying out new methods but I need a bit more to go on with this 
> one.
> Cheers,
> Morten

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