Dear Developers, As a late developer I have recently started to use the new GUI. Its very impressive but what I would like to do is to fire off a number of jobs to vary parameters say in refinement or auto-rebuilding. I havent been able to work out how to submit multiple jobs via the same configuration tab window. Is this possible ? Am I missing a trick. Thanks Jon -- Dr. Jonathan M. Grimes, University Research Lecturer Division of Structural Biology Wellcome Trust Centre for Human Genetics University of Oxford Roosevelt Drive, Oxford OX3 7BN, UK Email: [email protected], Web: www.strubi.ox.ac.uk Tel: (+44) - 1865 - 287561, FAX: (+44) - 1865 - 287547
On Sep 11, 2009, at 3:32 AM, Jonathan Grimes wrote:
As a late developer I have recently started to use the new GUI. Its very impressive but what I would like to do is to fire off a number of jobs to vary parameters say in refinement or auto-rebuilding. I havent been able to work out how to submit multiple jobs via the same configuration tab window.
This isn't currently possible. Unfortunately, it's also a little difficult to change right now, since we're trying to stabilize everything for a 1.5 release and it would require re-arranging large chunks of code. We'll keep it in mind for future versions - I've heard similar requests before. For now, the phenix.refine GUI now supports saving default parameters for a project, which will automatically load whenever you start the GUI. So once you settle on the basic parameters (reflections, restraints, atom selections, etc.), you can make those the default, and open as many windows as you need and the parameters will be identical except where you change them. (The PDB file, of course, needs to be re-loaded each time.) This isn't quite what you're asking for but will save some time. -Nat ------------------- Nathaniel Echols Lawrence Berkeley Lab 510-486-5136 [email protected]
Thanks for the response. I did think about opening multiple gui windows but was concerned about possible conflicts when writing to databases (i assume there is one). Anyway its a work around. Thanks Jon Dr. Jonathan M. Grimes, University Research Lecturer Division of Structural Biology Wellcome Trust Centre for Human Genetics University of Oxford Roosevelt Drive, Oxford OX3 7BN, UK Email: [email protected], Web: www.strubi.ox.ac.uk Tel: (+44) - 1865 - 287561, FAX: (+44) - 1865 - 287547 ---- Original message ----
Date: Fri, 11 Sep 2009 10:12:12 -0700 From: [email protected] (on behalf of Nathaniel Echols
) Subject: Re: [phenixbb] Phaser-Gui question To: PHENIX user mailing list On Sep 11, 2009, at 3:32 AM, Jonathan Grimes wrote:
As a late developer I have recently started to use the new GUI. Its very impressive but what I would like to do is to fire off a number of jobs to vary parameters say in refinement or auto-rebuilding. I havent been able to work out how to submit multiple jobs via the same configuration tab window.
This isn't currently possible. Unfortunately, it's also a little difficult to change right now, since we're trying to stabilize everything for a 1.5 release and it would require re-arranging large chunks of code. We'll keep it in mind for future versions - I've heard similar requests before.
For now, the phenix.refine GUI now supports saving default parameters for a project, which will automatically load whenever you start the GUI. So once you settle on the basic parameters (reflections, restraints, atom selections, etc.), you can make those the default, and open as many windows as you need and the parameters will be identical except where you change them. (The PDB file, of course, needs to be re-loaded each time.) This isn't quite what you're asking for but will save some time.
-Nat
------------------- Nathaniel Echols Lawrence Berkeley Lab 510-486-5136 [email protected]
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On Sep 11, 2009, at 11:26 AM, Jonathan Grimes wrote:
Thanks for the response. I did think about opening multiple gui windows but was concerned about possible conflicts when writing to databases (i assume there is one).
Sorry, my reply wasn't entirely clear - you should definitely not launch Phenix a second time, for exactly that reason, but a single session can have as many windows open as you want. You just need to click the phenix.refine button on the main GUI and it will open another window. These shouldn't conflict at all as far as databases are concerned. (The main limitation right now is that they'll compete for control of Coot or PyMOL if you have those open.) ------------------- Nathaniel Echols Lawrence Berkeley Lab 510-486-5136 [email protected]
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Jonathan Grimes
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Nathaniel Echols