Hello, Personally, this is what I do: if there is for example a missing surface loop that I cannot build then there will be no atoms in the model but header cards to describe this. Otherwise, I know the "missing" residues are there so that I leave them at full occupancy and let the temperature factors climb to best model the poor/missing electron density. This is what makes most sense to me. I know others do things differently. Fred. On 20/08/13 00:12, Mark Saper wrote:
What is the preferred method for handling missing residues or residues with zero occupancy, in terms of PBD submission?
I see three options: Remove them from the model set occupancy=0 and flag in REMARKs 475 and 480 keep occupancy=1 and allow the temperature factors to climb
I have a disordered region in my molecule which I am restraining to a portion of a structure in which that region is well resolved. There are several residues that have no density in the current refinement, yet I want to keep them in the model. Suggestions?
Mark _______________________________________________ Mark A. Saper, Ph.D. Department of Biological Chemistry, University of Michigan Medical School 3040 Chemistry Building | [email protected] | +1 (734) 764-3353
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