Nat, I don't know how difficult the following would be to implement in your current system, so forgive me if it's too ambitious: Ideally, the user would be able to choose what to display. I am thinking of a column info system along the lines of iTunes where one can select which data should be shown (right-click on any column header). One should also be able to sort on any column (ascending/descending). Things to show would include (nut are not limited to): R, Rfree, Rfree-R, variation of LLG and R factors in the last cycle compared to penultimate cycle (to test for convergence), Ramachandran outliers, rotamer outliers, clash score, input weights, LLG, map correlation coefficients, etc., all the goodies :) Cheers, MM On Mar 6, 2013, at 3:13 PM, Nathaniel Echols wrote:

On Wed, Mar 6, 2013 at 2:18 AM, Luca Pellegrini wrote:

...

Is there a way to change/select the column items displayed in the PHENIX home window, under the 'Job history' tab? At the moment, mine shows: ID/Program/Date/Job title or directory/R-free. I would like to add things like the Overall score from MolProbity etc. I looked under Preferences but couldn't find anything.

This isn't possible right now, but since you are the second person to ask, I guess I should bump it higher up on my to-do list. You would not be able to show the MolProbity score for existing jobs in any case, because it is not stored centrally, but I will add that and the clashscore now. Are there any other statistics that should be visible from this interface? (I think I have FOM and LLG for AutoSol and Phaser jobs already.)

Also note that you can edit the title for a finished run, which might help a bit in the interim.

-Nat _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb

I find convenient (to follow after structure development) to produce, store and use bulk data which is present in Table 1. Table 1 can be easily produced and conveniently displayed. Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: [email protected] Tel: ++972-3640-8723 Fax: ++972-3640-9407 Cellular: 0547 459 608 On Mar 10, 2013, at 01:47 , Nathaniel Echols wrote:

On Sat, Mar 9, 2013 at 5:08 AM, Machius, Mischa Christian wrote:

...

I don't know how difficult the following would be to implement in your current system, so forgive me if it's too ambitious: Ideally, the user would be able to choose what to display. I am thinking of a column info system along the lines of iTunes where one can select which data should be shown (right-click on any column header). One should also be able to sort on any column (ascending/descending).

Things to show would include (nut are not limited to): R, Rfree, Rfree-R, variation of LLG and R factors in the last cycle compared to penultimate cycle (to test for convergence), Ramachandran outliers, rotamer outliers, clash score, input weights, LLG, map correlation coefficients, etc., all the goodies :)

Basically the problem right now is that almost all of these are stored in separate files, one per job - the R-free is shown in the job history because it's the only statistic stored centrally. In order to display these other statistics and sort them, I either need to significantly refactor the way the job data are stored, or read in the files for every job to extract the necessary information. I'm a little concerned about the overhead involved - the reason they're stored separately is to be able to load the basic job history as quickly as possible. I think there is a way to minimize this by caching some of the data, but it's not trivial, and will probably take me several tries to get it right.

-Nat _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb