[phenixbb] s_annealing within AutoBUILD

Noinaj noinaj at uky.edu
Fri Jul 14 13:48:37 PDT 2006


 I thought that I just overlooked the s_annealing parameter, but this 
doesn't seem to be the case.  I don't seem to have this parameter in my 
list.  I am using the latest version of PHENIX loaded onto a LINUX 

Could it be that the parameter is missing or that I may have missed 
something during the installation, since I am a newbie to Linux?

Thanks again in advance for all your help!


----- Original Message ----- 
From: "Tom Terwilliger" <terwilliger at lanl.gov>
To: "PHENIX user mailing list" <phenixbb at phenix-online.org>
Sent: Friday, July 14, 2006 4:20 PM
Subject: Re: [phenixbb] s_annealing within AutoBUILD

> Hi Nick,
> Yes, you can modify the parameter "s_annealing" by going to the menu at 
> the
> bottom right corner of the Parameters (inputs) screen labelled
> SET VARIABLE (Advanced users)
> and selecting "s_annealing"
> then click "CONTINUE" and a screen will come up allowing you to choose Yes
> or No to s_annealing.  Then when you click CONTIUE the wizard will 
> continue
> whatever it was doing.
> You can set this variable when you are setting up your run; do it any time
> before the last screen comes up.
> All the best,
> Tom t
> At 03:54 PM 7/14/2006 -0400, Noinaj wrote:
>>I am running AUTOBUILD on a friend's structure, and noticed in the log
>>file the s_annealing parameter set to false.  Is it possible to set this
>>parameter to true when doing an AUTOBUILD run, say to do s_a after each
>>build cycle?  I have read that I can use phenix.refine at the command line
>>to run s_annealing, but didn't know if I could modify this option within
>>the wizards.  I checked out the list of parameters which I am allowed to
>>change, but didn't see s_anneal anywhere.
>>Thanks for all replies in advance!
>>Nicholas Noinaj
>>University of Kentucky School of Medicine
>>Department of Molecular and Cellular Biochemistry
>>Biomedical Biological Sciences Research Building, Rm 236
>>741 S. Limestone
>>Lexington, Ky 40536
>>Lab:  859-323-8183
>>Home:  859-228-0978
>><mailto:noinaj at uky.edu>noinaj at uky.edu
>>phenixbb mailing list
>>phenixbb at phenix-online.org
> Thomas C. Terwilliger
> Mail Stop M888
> Los Alamos National Laboratory
> Los Alamos, NM 87545
> Tel:  505-667-0072                 email: terwilliger at LANL.gov
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