[phenixbb] Autosol question

Thomas C. Terwilliger terwilliger at lanl.gov
Thu Feb 17 12:34:15 PST 2011


Hi Laurie,

I'm glad that autosol did well on your old datasets!  The "phasing power"
for autosol can be found in the files AutoSol_run_1_/TEMP0/solve_1.prt ,
solve_2.prt etc (with each derivative in one file)  where you can find:

RMS(FH)/RMS(E):   3.77   1.87   3.89   4.09   4.62   5.66   4.76   5.11  
4.75

which is one expression for phasing power.

All the best,
Tom T



>> Dear Phenix developers,
>>
>> I am SO impressed with what AutoSol (thank you TT) did with some old heavy
>> atom data sets I collected on tetragonal lysozyme some years ago; one was
>> a
>> single-site uranium derivative and the other a pretty dodgy mercury
>> derivative and just the sequence.  Neither had any separation of anomalous
>> pairs, so it was totally MIR.  In an hour and a half, there was a gorgeous
>> map (not perfect mind you, CC = 0.85, but our students will not realize
>> how
>> much more work this would have been 20 years ago or even 10).
>>
>> I was just curious which statistic in the log file could be compared with
>> the old fashioned "phasing power"?
>>
>> THanks
>>
>> Laurie Betts
>> UNC Chapel Hill
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