IFP Filtering on Wynton

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Revision as of 22:11, 2 October 2024 by Sevigneron (talk | contribs) (Created page with "Seth Vigneron Oct 2024 IFP filtering on wynton proceeds in almost the exact same way as on our gimel cluster. Note the conda environment sourced uses the same older versions of python and LUNA as JK's original scripts on gimel, so wynton is not using any updated versions of any software and still runs the same IFP protocol. 1. Run getposes script following your screen. 2. Make split mol2 files to be run in parallel ls $PWD/poses_extract_for_getposes_parallel_*mol2 >")
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Seth Vigneron Oct 2024

IFP filtering on wynton proceeds in almost the exact same way as on our gimel cluster. Note the conda environment sourced uses the same older versions of python and LUNA as JK's original scripts on gimel, so wynton is not using any updated versions of any software and still runs the same IFP protocol.

1. Run getposes script following your screen.

2. Make split mol2 files to be run in parallel ls $PWD/poses_extract_for_getposes_parallel_*mol2 >

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