[phenixbb] Phaser

[Morten Groftehauge]

Hi guys,

I was trying out the new Parallel Phaser (dev-1214) and using a model
prepared by Rosetta covering 25% of the total structure (32% identity to
the homology model), NCS = 2. 5 models actually but not really relevant
since the program spontaneously stopped running after a couple of hours (I
love what it's supposed to do though!). My question is about the log
however. In the Parallel Phaser log it says:
   Expected LLG and Resolution Limits
   ----------------------------------
   Expected LLG target:              120.00
   Expected LLG achieved:            120.0
   Resolution of All Data:            2.38
   Resolution limited by eLLG target: 4.83
      This resolution WILL NOT be used as the default

   The expected LLG achieved is greater than 120 (eLLG target)

but when I tried to recreate that run in the regular Phaser-MR I get this
message in the log
   Expected LLG and Resolution Limits
   ----------------------------------
   Expected LLG target:              120.00
   Expected LLG achieved:            49.7
   Resolution of All Data:            2.38
   Resolution limited by eLLG target: 2.38
      This resolution WILL NOT be used as the default

   The expected LLG achieved is less than 60 (half eLLG target)
      FTF rescoring WILL be performed due to low expected LLG signal
      Deep search will be performed from the start

I think the second result looks more realistic (unfortunately) but I still
don't understand why the difference?

Cheers,
Morten

PS Seems like there's a memory leak in 1214 and 1207 when I run the Phaser
step of MR_Rosetta. Does this sound right? Definitely in 1207 but it seems
like it's still there in 1214.

-- 
Morten K Grøftehauge, PhD
Pohl Group
Durham University
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