I really have no view providing that if you include the whole side chain you must set the atom occupancy to 0.00 forthe invisible atoms..

Eleanor

Nicholas Noinaj wrote:

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Hi,

i would like to get opinions on whether or not one removes side-chain atoms where 
there is no density.  for example, if one can only observe density up to the 
beta-carbon for lysine (say at > 0.5 sigma), does one leave the lysine side 
chain intact, knowing it must be disordered, or does one terminate at the 
beta-carbon, making the coordinates reflect what is actually observed in the 
density.

It seems both approaches are published and people seem to have conflicting opinions on the topic. It would be nice to come to some concensus, possibly clear up the issue for us newbies.
Thanks in advance for all feedback!



Cheers,
NIck




________________________________________

Nicholas Noinaj
University of Kentucky College of Medicine
Department of Molecular and Cellular Biochemistry
The Center for Structural Biology
Biomedical Biological Sciences Research Building, Rm 236
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Lexington, Ky 40536
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