PyRx-0.9-x86-64.tar.gz installation on cluster and start-up

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PyRx-0.9-x86-64.tar.gz installation on cluster and start-up

Postby Hussain » Tue Jun 09, 2015 7:27 am

Dear Sargis,

How to install PyRx-0.9-x86-64.tar.gz on cluster? And how to start?
Will it work as GUI on cluster? If yes, I've to screen 700, 000 compounds library, so, will it work fine?
Regards.
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Hussain
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Re: PyRx-0.9-x86-64.tar.gz installation on cluster and start

Postby sargis » Thu Jun 11, 2015 1:20 am

Hussain wrote:How to install PyRx-0.9-x86-64.tar.gz on cluster? And how to start?
Will it work as GUI on cluster? If yes, I've to screen 700, 000 compounds library, so, will it work fine?
Regards.

Dear Muzammal,

Thank you for the message. You'll need to untar that file in your lucster head node. Run run.sh script included in the that file to start.

It will work as GUI on cluster. The number of compounds you can screen depends on how large your cluster is. I haven't run more that ~1k compounds myself, but I've heard from users who run ~100k compounds.

Regards.
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