[phenixbb] after_autosol

[Thomas C. Terwilliger]

Hi Brian,


> using phenix 1.3b of 21-10-2007, trying `phenix.autobuild after_autosol` :
>
> how does one identify the "highest-numbered AutoSol run", and that it is
> completed?

As you say below,

phenix.autosol show_runs

will tell you all the runs, with the highest-numbered one last.

>what does `phenix.autobuild` want for such a solution e.g. in
> terms of files/directories?

It wants the directory PDS/  and the directory AutoSol_run_xx_/ and any
original files that were used (not usually necessary).

>
> or does `phenix.autobuild after_autosol` need to be included in the
> command at the time when `phenix.autosol` is submitted?

No, later is fine.

>
> phenix.autobuild reads a lot of params from my AutoSol dir, but apparently
> no solutions -- even though `phenix.autosol show_runs` shows one.

I was with you until here...this does surprise me.  Did the autosol run
finish completely? The show_runs command should list one like this:

---------------------------------------------------------------------------
1:     Run 1 AutoSol Mon Dec 17 11:34:52 2007
STEP: finished
Top solution: # 6 Dataset #1
Score: 36.12   FOM: 0.49
Built: 75 Side-chains: 60 Chains: 2   CC: 0.72
   Sites: 2

 Score type:        CC       RFACTOR       SKEW       FOM
Raw scores:       0.48        0.53        0.28        0.60
Z-scores:         7.51        8.07        8.54       12.00

Then I type:

phenix.autobuild after_autosol

and I get AutoBuild_run_2_/AutoBuild_run_2_1.log (run 2 because I did
already run autobuild here):

************************************************************
          PHENIX AutoBuild  Tue Dec 18 18:18:00 2007
************************************************************
PHENIX VERSION:  1.3b  of  21-10-2007

Working directory: 
/net/cci-filer1/vol1/tmp/terwill/from_firebird/PHENIX/structure_lib_tests/MAD/gene-5/run_121707/AutoBuild_run_2_


AutoBuild_start  AutoBuild  Run 2 Tue Dec 18 18:18:00 2007

Appending solution 23.7740809577 1 23.7740809577 None solve_1.mtz
Appending solution 4066.36197596 2 36.1975957602
exptl_fobs_phases_freeR_flags_2.mtz solve_2.mtz
Appending solution 32.3199650706 3 32.3199650706 None solve_3.mtz
Appending solution 32.3194077661 4 32.3194077661 None solve_4.mtz
Appending solution 32.4341792989 5 32.4341792989 None solve_5.mtz
Appending solution 4072.36124156 6 36.1241559936
exptl_fobs_phases_freeR_flags_6.mtz solve_6.mtz
Best solution 4072.36124156 6 36.1241559936
exptl_fobs_phases_freeR_flags_6.mtz solve_6.mtz AutoSol_run_1_

..etc...

All the best,
Tom T