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OpenEye Software - Revision history
2026-06-05T10:41:43Z
Revision history for this page on the wiki
MediaWiki 1.38.2
https://bionmr.unl.edu/mediawiki/mediawiki/index.php?title=OpenEye_Software&diff=1322&oldid=prev
Wiki Administrator at 20:21, 21 July 2022
2022-07-21T20:21:33Z
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Wiki Administrator
https://bionmr.unl.edu/mediawiki/mediawiki/index.php?title=OpenEye_Software&diff=410&oldid=prev
Wiki Administrator at 14:27, 4 October 2013
2013-10-04T14:27:37Z
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Wiki Administrator
https://bionmr.unl.edu/mediawiki/mediawiki/index.php?title=OpenEye_Software&diff=41&oldid=prev
Wiki Administrator: 1 revision: Protocols
2012-03-13T00:02:20Z
<p>1 revision: Protocols</p>
<p><b>New page</b></p><div>This page describes the maintenance and use of the various programs for the OpenEye software suite on your workstation and the cluster.<br />
<br />
==Installing OpenEye Packages==<br />
'''You must be root to perform these updates! Doing so under any other user account will break the installation.'''<br />
<br />
Every two years, the OpenEye software license expires, forcing the user to acquire a new license and reinstall the packages. First, create an account at eyesopen.com and submit your new license file. Then, proceed to the downloads page and download the following (x86_64, RHEL5) tarballs to somewhere on /DATA which will be referred to as ''$pkgdir'':<br />
<br />
* babel<br />
* brood<br />
* eon<br />
* filter<br />
* fred<br />
* lexichem<br />
* ogham<br />
* omega<br />
* quacpac<br />
* rocs<br />
* szybki<br />
* vida<br />
<br />
Now, ''ssh'' into bionmr-c1 and ''su'' to root, then '''carefully''' perform the following commands:<br />
<br />
cd /home/PROGRAMS/OpenEyeBundle<br />
rm -rf openeye-old<br />
mv -f openeye openeye-old<br />
tar xzf ''${pkgdir}''/babel-*.tar.gz<br />
tar xzf ''${pkgdir}''/brood-*.tar.gz<br />
tar xzf ''${pkgdir}''/eon-*.tar.gz<br />
tar xzf ''${pkgdir}''/filter-*.tar.gz<br />
tar xzf ''${pkgdir}''/fred-*.tar.gz<br />
tar xzf ''${pkgdir}''/lexichem-*.tar.gz<br />
tar xzf ''${pkgdir}''/ogham-*.tar.gz<br />
tar xzf ''${pkgdir}''/omega-*.tar.gz<br />
tar xzf ''${pkgdir}''/quacpac-*.tar.gz<br />
tar xzf ''${pkgdir}''/rocs-*.tar.gz<br />
tar xzf ''${pkgdir}''/szybki-*.tar.gz<br />
tar xzf ''${pkgdir}''/vida-*.tar.gz<br />
cp ''${pkgdir}''/oe_license.txt openeye/<br />
chmod 644 openeye/oe_license.txt<br />
chown -R 502:501 openeye<br />
<br />
That should do it.<br />
<br />
[[category:Protocols]]<br />
[[category:Molecular Docking]]</div>
Wiki Administrator