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4 October 2024
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N 20:23 | How To Use Rsync 2 changes history +2,314 [Jgutierrez6 (2×)] | |||
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20:23 (cur | prev) +1,060 Jgutierrez6 talk contribs | ||||
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20:09 (cur | prev) +1,108 Jgutierrez6 talk contribs (Created page with "== How to download zinc-22 using rsync == Ok, you can try this rsync -Larv --include='*/' --include='[a-z]/H[01]?*-*db2.tgz' --exclude='sets' --exclude='*' --verbose rsync://files.docking.org/ZINC22-3D/zinc-22<?> . (all on one line) where <?> is d g h i k l m n o p q r s t u v x n is 50% of the database x is 25% g is "informer set" This will get you all molecules in the "?" layer of ZINC-22. with the db2 format. If you want sdf, mol2 or pdbqt, just change db2...") | |||
| 20:09 | Deletion log Jgutierrez6 talk contribs deleted page How to download zinc-22 using rsync (Redundant) | ||||
2 October 2024
| N 22:11 | IFP Filtering on Wynton diffhist +473 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 >") | ||||
| 17:49 | Group Meeting diffhist +35 Bks.labmanager talk contribs (→Shoichet Lab Group Meeting Schedule) | ||||