http://wiki.docking.org/index.php?action=history&feed=atom&title=Unpack-repack 2026-04-07T18:28:05Z Revision history for this page on the wiki MediaWiki 1.39.1 http://wiki.docking.org/index.php?title=Unpack-repack&diff=13627&oldid=prev 2021-07-29T21:29:44Z

<p>adsf</p> <p><b>New page</b></p><div>This is the page about unpack-repack for ZINC-22. <br /> <br /> The steps are<br /> * we build 50-mol packages, possibly on a remote machine<br /> * we repatriate to /nfs/exg/bespoke22/tarballs. on wynton this is:<br /> ~jji/bin/sync.csh<br /> * unpack<br /> become svigneron on nfs-exg<br /> cd /export/exg/zinc22/svigneron/<br /> cp /nfs/exg/zinc22/jjiwork/cmd1 . <br /> csh cmd1 H25P100_whatever.out <br /> * sdi<br /> csh sdi6.script H25<br /> * repack to destination<br /> csh master-c H25 n. # let&#039;s discuss how this goes!<br /> * delete intermediate files<br /> after we talk<br /> <br /> I suggest you do everything on /nfs/exg/ until further notice. <br /> <br /> <br /> [[Category:ZINC22]]<br /> [[Category:Curator]]</div>

Frodo