[phenixbb] Anyone have a phenix.resolve script for after Phaser ?

Tom Terwilliger terwilliger at lanl.gov
Tue Jul 14 07:41:21 PDT 2009

Hi Phil,
That script looks fine.  If you have NCS, then it is good to add

ha_file my-ha-sites.pdb

so that it can find the NCS.  Also your script will build a model...to  
skip that say


If you are building a model I'd recommend also trying phenix.autobuild  
which will generally do much better than the resolve run in your script.

If you are wanting to run HYSS -> PHASER -> RESOLVE then you can also  
just run phenix.autosol which will do that for you.

All the best,
Tom T

On Jul 13, 2009, at 11:35 AM, Phil Jeffrey wrote:

> Although my usual m.o. is SHELX -> SHARP I'm exploring
> HYSS -> PHASER -> RESOLVE to see if the maps are any more  
> interpretable.
>  I think I've got good scripts for the first two steps but I'm not  
> sure
> about my resolve script which stands at:
> phenix.resolve << EOD
> hklin myp3_auto.mtz
> hklout resolve.mtz
> solvent_content 0.45
> seq_file myp3.pir
> This runs, but I could not tell from delving into the documentation if
> this was ideal or not.
> Thanks
> Phil Jeffrey (a Luddite and not using the GUI)
> Princeton
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://www.phenix-online.org/mailman/listinfo/phenixbb

Thomas C. Terwilliger
Mail Stop M888
Los Alamos National Laboratory
Los Alamos, NM 87545

Tel:  505-667-0072                 email: terwilliger at LANL.gov
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