IFP Filtering on Wynton

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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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