Hi Gabor,
You can edit the command used to submit a job on the GUI (on the run tab).
By default it says only "qsub" but you can change it to anything you like,
including arguments like -x. Alternatively, you can edit the default
qsub.csh job and include whatever definition you need in that script.
Together, they should provide enough flexibility for most setups.
The B-factor estimation is based on the method by Rosenthal & Henderson
(2003) JMB.
Hope that helps,
Sjors
> Hi Sjors,
>
> I need to provide an environmental variable at runtime with mpirun on our
> cluster. I use the -x option to do that. For this I have to print the
> command and edit it each time. Is there a way to include it in the GUI
> generated command? What should I modify for this?
>
> I have another question: how do you estimate the bfactor for the map
> postprocessing?
>
> Thank you in advance for your help!
>
> Best regards,
>
> Gabor
> ---
> Gabor Papai
> IGBMC
> Integrated Structural Biology
> 1, rue Laurent Fries, Bp 10142
> 67404 Illkirch, France
> Tel: +33-3-88655748
>
>
--
Sjors Scheres
MRC Laboratory of Molecular Biology
Francis Crick Avenue, Cambridge Biomedical Campus
Cambridge CB2 0QH, U.K.
tel: +44 (0)1223 267061
http://www2.mrc-lmb.cam.ac.uk/groups/scheres
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