http://wiki.docking.org/index.php?action=history&feed=atom&title=Testing_zinc21 2026-04-07T07:57:50Z Revision history for this page on the wiki MediaWiki 1.39.1 http://wiki.docking.org/index.php?title=Testing_zinc21&diff=11831&oldid=prev 2019-07-01T22:35:36Z

<p>asdf</p> <p><b>New page</b></p><div>This page describes testing zinc21 prior to full scale deployment. <br /> <br /> = set up zinc21 = <br /> * install latest rdkit using conda (2019-03 version)<br /> * install postgres11 with 2018-09 version of cartridge.<br /> * install reference data<br /> <br /> = getting started = <br /> * login to yod as root, su to devtest (for now)<br /> * source /mnt/nfs/home/devtest/anaconda3/bin/activate<br /> * conda activate my-rdkit-env<br /> * cd /mnt/nfs/home/devtest<br /> * cd load2d<br /> * sh new_batch<br /> <br /> <br /> = things to check on = <br /> * chembl25<br /> * tetrazole processing<br /> * jchem version<br /> * OE version<br /> * mitools version<br /> * corina version<br /> * processing of sterols<br /> * processing of E/Z bonds<br /> * processing of bridgehead stereochem<br /> * bigint<br /> * parallelism<br /> * table partitioning<br /> * split substance table, maybe split protomer table<br /> * <br /> <br /> <br /> [[Category:Internal]]<br /> [[Category:Curator]]</div>

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