Well - the idea of NCS refinement is to restrain the 2 NCS related
models to be the same so that is problematic if they should be somewhat
diffeent..
You can get the matrix using SSM superposition ( see the GUi -
superpose molecules)
This will match using Secondary structure and give a list of what
matches what in the two chains.
You could then set up the restraints carefulyy
eg Chain A res 4 14 res 19 to 35 res 39 to xxx etc matching Chain B
res 2 to 12 20 36 41 to etc
You would presumably restrain maybe the main chain but not the side chains
However I am not sure how valuable it would be.
Eleanor
Radisky, Evette S. Ph.D. wrote:
I have some questions about the "NCS Phased Refinement" task run from
ccp4i:
Can one use this task if there are multiple nonidentical chains in the
NCS unit (e.g. a heterodimer), and if so, how does one define the NCS
units? I find that the default is to consider each chain as a
separate "NCS unit", and the program LSQKAB fails when trying to match
residues between non-identical chains.
Thanks,
Evette
Evette S. Radisky, Ph.D.
Assistant Professor and Associate Consultant II
Mayo Clinic Cancer Center
Griffin Cancer Research Building, Rm 310
4500 San Pablo Road
Jacksonville, FL 32224
(904) 953-6372 (office)
(904) 953-2857 (lab)
