[phenixbb] Judging AutoSol Output

agb838@mail.usask.ca agb838 at mail.usask.ca
Mon Apr 24 15:18:23 PDT 2006


I have some basic questions about the output from Phenix. Basically I
have a data set that gave a solution, but I am not exactly sure how to
tell about the quality of the solution from the outputs. The overall
score is 110. I am not sure exactly what that refers to or how good/bad
it is. I have attached the AutoSol.output file. Any basic suggestions at
what I should be looking at, or if this is even the right file, would be
helpful. The resolve.mtz and resolve.pdb look alright. They are a good
start, but much improvement is needed. If anyone has some suggestions as
to how to improve the output, that would also be helpful.

I have also run the data through solve/resolve through the command
prompt and it repeatedly locates four heavy atom sites (the data set is
SAD). Yet, when Phenix is used, 16 sites are found. Why the difference
and how do I tell what is working better and why.

Thank you,
Angela Hoffort
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