[phenixbb] strategy of refinement for a structure phased by bromide soaking

Bryan W. Lepore bryanlepore at mail.utexas.edu
Thu Jan 10 16:54:04 PST 2008


On Thu, 10 Jan 2008, Pascal EGEA wrote:
> I would like to know why the best_solution after the automatic building 
> run does not contain any of the Bromide ions. It has water molecules but 
> no Bromide ions? What is the reason for that?

consider

input_lig_file_list=my_heavy_atoms.pdb

or something like that when running an autobuild.  also, there's a couple 
emails back i asked about a related issue.  frankly, i haven't sorted it 
out.

-bryan

p.s: always use the latest/greatest phenix.



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