automr : *refinement* resolution limit keyword?
[ dev-572 ] i'm wondering if users can set the *refinement* resolution limits in automr? the webpage suggests this, but it wasn't clear to me. i can set the search resolution fine, however by default as indicated, all data is used - and the only other keyword i see that would at all be relevant is the building resolution. -Bryan
Hi Bryan, I'm afraid that in automr you cannot separately set the refinement resolution for autobuilding. To do this you have to run autobuild, where you can specify "refinement_resolution=2.5" All the best, Tom T
[ dev-572 ]
i'm wondering if users can set the *refinement* resolution limits in automr? the webpage suggests this, but it wasn't clear to me.
i can set the search resolution fine, however by default as indicated, all data is used - and the only other keyword i see that would at all be relevant is the building resolution.
-Bryan _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
Hi, I guess what you're referring to is the final rigid-body refinement step in Phaser, where by default all the data are used. Most of the time that's the right thing to do, because it will give you the most precisely-positioned model *and* compute Fc values for all the reflections. But sometimes (with very large, high-resolution data sets) this can be very slow or consume too much memory, so in recent versions of Phaser there is a command-line option to over-ride the default behaviour (RESOLUTION AUTO command). The resolution limits for the final refinement can be set in the Phaser-MR GUI, in the box labelled "High resolution for refinement" on the main GUI window. At the moment, there's no way to set this parameter in the AutoMR GUI, but it could be added if it seemed to be important to have it accessible there too. Regards, Randy On 15 Nov 2010, at 23:36, Bryan Lepore wrote:
[ dev-572 ]
i'm wondering if users can set the *refinement* resolution limits in automr? the webpage suggests this, but it wasn't clear to me.
i can set the search resolution fine, however by default as indicated, all data is used - and the only other keyword i see that would at all be relevant is the building resolution.
-Bryan _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
------ Randy J. Read Department of Haematology, University of Cambridge Cambridge Institute for Medical Research Tel: + 44 1223 336500 Wellcome Trust/MRC Building Fax: + 44 1223 336827 Hills Road E-mail: [email protected] Cambridge CB2 0XY, U.K. www-structmed.cimr.cam.ac.uk
On Tue, Nov 16, 2010 at 5:08 AM, Randy Read
I guess what you're referring to is the final rigid-body refinement >step in Phaser, where by default all the data are used.
yes
can be very slow or consume too much memory,
oh yes
so in recent versions of Phaser there is a command-line option to >over-ride the >default behaviour (RESOLUTION AUTO command).
i suspect there are three things that i think are one thing. i just looked now, and sure enough there's phenix.phaser in addition to phenix.automr, so i'll bear this in mind. ... i usually use 'resolution=3.0' on the CL to cut the search. from what i'm hearing, i cannot do that on the CL - only in the ...
GUI
the third thing. so i'll bear this in mind, and also that phaser is in ccp4. Thanks, -Bryan
participants (3)
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Bryan Lepore
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Randy Read
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Thomas C. Terwilliger