[phenixbb] phenix.phaser generate .sol file

Nathaniel Echols nechols at lbl.gov
Mon Oct 24 08:52:39 PDT 2011


On Mon, Oct 24, 2011 at 6:15 AM, G Y <gysubscribe at gmail.com> wrote:
> Thank you for your kind answer. In fact, what I need are the euler angles,
> translation vectors and Z-scores for each solution. I run phenix.phaser from
> a shell script by phenix.phaser params.eff, not from GUI, still I can not
> file a .sol file.
> How can I get those information if there is no .sol file? I found in output
> log file there are some information like that. But they are not summarized
> in a nice list and located at different part of the log file which makes it
> difficult to grep these informations. Is there any easy way to obtain a list
> for euler angles, translation vectors, Z-socre for all the solutions in a
> nice format?

It looks like Airlie just checked in some code to enable this, which
I've modified slightly to fit better into the GUI.  So, starting
tomorrow:

phaser.keywords.general.keywords=True

will cause it to output the .sol file, which for the very simple
example I ran looks like this:

#  this is the job title
SPACEGROUP P 21 21 21
SOLU SET RFZ=16.6 TFZ=27.4 PAK=0 LLG=1362 TFZ==26.9 LLG=1362
SOLU 6DIM ENSE 1l3r EULER 180.199 180.000 0.000 FRAC -0.50025 -0.00071
0.00010 BFAC 0.00000

Does this have everything that you need?

-Nat


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