Hi George,

Just in case you haven't seen it already - CCN from 2013 contains a case study regarding optimal use of ER (p51).

https://www.phenix-online.org/newsletter/CCN_2013_07.pdf

Best wishes,

Tom

On 14 February 2016 at 20:25, George Kontopidis <gkontopidis@vet.uth.gr> wrote:

Done it.

Now I can see ensemble refinement option.

I would let you know how the results look like.

 

Many thanks,

 

George

 

 

From: R. D. Oeffner [mailto:rdo20@cam.ac.uk]
Sent: Sunday, February 14, 2016 2:23 PM
To: George Kontopidis
Cc: 'PHENIX user mailing list'
Subject: Re: [phenixbb] ensemble refinement

 

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.

 

Sent: Sunday, February 14, 2016 11:45

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@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

 

On Sat, Feb 13, 2016 at 10:51 AM, R. D. Oeffner <rdo20@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@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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