[phenixbb] Problems placing second component in Phaser

Morten Groftehauge mortengroftehauge.work at gmail.com
Mon Feb 18 04:31:17 PST 2013


Hi guys,

So I have a solution that covers some of target and I ran it through
phenix.mr_rosetta and I am actually kinda happy with the output from there.
However, while I can place both (NCS=2) with the original model I only seem
to be able to place one of the rosetta models, even with 'packing function'
set to 'all' or 'allow'.
Original model -
Refinement after placing component 1: LLG 175
Refinement after placing component 2: LLG 620
Rosetta model (packing 'all') -
Refinement after placing component 1: LLG 295
Refinement after placing component 2: LLG 390
Rosetta model (packing standard) -
Refinement after placing component 1: LLG 295
Refinement after placing component 2: LLG 350

More notably there is little to no increase in TFZ with the placement of
the second component...

There are more residues in the Rosetta model and I would expect more
clashes but this looks weird.

Cheers,
Morten

-- 
Morten K Grøftehauge, PhD
Pohl Group
Durham University
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