[phenixbb] ensemble refinement

[R. D. Oeffner]

You need to enable the “alpha test programs” options. Open the Phenix Preferences dialog, click the “General” button and scroll down to find it. Then close and restart Phenix.

From: George Kontopidis 
Sent: Sunday, February 14, 2016 11:45
To: 'Billy Poon' ; 'R. D. Oeffner' 
Cc: 'PHENIX user mailing list' 
Subject: RE: [phenixbb] ensemble refinement

Hi Bill,

 

Phenix version  dev-2313-000 (nightly builds) have been downloaded and installed.

GUI (phenix.refine) refinement settings does not seem to have an ensemble refinement option.

 

Regards, 

 

George

 

From: Billy Poon [mailto:bkpoon at lbl.gov] 
Sent: Saturday, February 13, 2016 10:46 PM
To: R. D. Oeffner
Cc: George Kontopidis; PHENIX user mailing list
Subject: Re: [phenixbb] ensemble refinement

 

Hi George,

 

You should use one of the newer nightly builds if you want to use the GUI since there have been updates to the GUI. 




--

Billy K. Poon

Research Scientist, Molecular Biophysics and Integrated Bioimaging

Lawrence Berkeley National Laboratory

1 Cyclotron Road, M/S 33R0345

Berkeley, CA 94720

Tel: (510) 486-5709

Fax: (510) 486-5909

Web: https://phenix-online.org

 

On Sat, Feb 13, 2016 at 10:51 AM, R. D. Oeffner <rdo20 at cam.ac.uk> wrote:

It’s included as an alpha version in version 1.10.1-2155 so you’ll have to switch on that setting to make it available from the GUI. It also runs from the command line when you call phenix.ensemble_refinement.bat from the phenix command prompt.

Do let us know about any issues as I don't think many people have used it in anger on Windows yet.

Regards,

Robert

-- 
Robert Oeffner, Ph.D.
Research Associate, The Read Group
Department of Haematology,
Cambridge Institute for Medical Research
University of Cambridge
Cambridge Biomedical Campus
Wellcome Trust/MRC Building
Hills Road
Cambridge CB2 0XY

www.cimr.cam.ac.uk/investigators/read/index.html
tel: +44(0)1223 763234


From: George Kontopidis
Sent: Saturday, February 13, 2016 18:29
To: phenixbb at phenix-online.org
Subject: [phenixbb] ensemble refinement




Does ensemble refinement run on Phenix version 1.10.1-2155 (for windows)

If yes

can it run from GUI or only using command line?



George










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