[phenixbb] changes to phenix autosol?

Thomas C. Terwilliger terwilliger at lanl.gov
Fri May 8 16:06:46 PDT 2009


Hi Francis,

Yes, by default autosol will now do some initial model-building. If you
don't want it to, just say "build=False".

The autosol model-building is a secondary-structure-only model, if that
procedure yields anything useful, or else it is a quick standard build as
in autobuild.

The purpose of autosol model-building is just to let you know if the
structure is really solved. You should do all serious model-building with
the autobuild wizard.  I usually just start over in model-building with
the autobuild wizard even if the autosol wizard has built something.

All the best,
Tom T

>> Hi all
>>
>> It seems that AutoSol now does some initial building when before (at
>> least 1.3-final) it just output a phaser_x.mtz and resolve_x.mtz which
>> would go onto phenix.autobuild after_autosol . What's this new initial
>> building?
>>
>> Thanks
>>
>> FR
>>
>> ---------------------------------------------
>> Francis Reyes M.Sc.
>> 215 UCB
>> University of Colorado at Boulder
>>
>> gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D
>>
>> 8AE2 F2F4 90F7 9640 28BC  686F 78FD 6669 67BA 8D5D
>>
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