[ccp4bb] NCS on multiple conformations

2012-06-29 Thread Andreas Förster 

Dear all,

I have solved the structure of a protein with twofold NCS.  On the axis 
relating the protein molecules sits a peptide ligand in two (mutually 
exclusive, partially occupied) conformations, effectively interacting 
with either protein molecule half of the time.  Sorting out the side 
chain conformations of the ligand proves difficult.


I would like to impose twofold NCS on the two conformations of the 
ligand.  In Refmac, I can relate residue n of chain A to residue n of 
chain B.  Can I also relate residue An of chain C to residue Bn of chain 
C?  Or is there some other clever way of dealing with this situation?


Thanks.


Andreas




--
Andreas Förster, Research Associate
Paul Freemont & Xiaodong Zhang Labs
Department of Biochemistry, Imperial College London
http://www.msf.bio.ic.ac.uk

[ccp4bb] NCS on multiple conformations

2012-06-29 Thread Andreas Förster 

Dear all,

ok, never mind.  I defined either peptide conformation as part of the 
protein it binds to and applied NCS to that.


Should have thought of that before sending out the question.


Andreas



--
Andreas Förster, Research Associate
Paul Freemont & Xiaodong Zhang Labs
Department of Biochemistry, Imperial College London
http://www.msf.bio.ic.ac.uk