http://wiki.docking.org/index.php?action=history&feed=atom&title=ZINC-22%3AOne_time_rearrangement_Jan_25_2022ZINC-22:One time rearrangement Jan 25 2022 - Revision history2026-05-30T03:22:58ZRevision history for this page on the wikiMediaWiki 1.39.1http://wiki.docking.org/index.php?title=ZINC-22:One_time_rearrangement_Jan_25_2022&diff=15891&oldid=prevFrodo: adsf2024-05-23T16:24:59Z<p>adsf</p>
<table style="background-color: #fff; color: #202122;" data-mw="interface">
<col class="diff-marker" />
<col class="diff-content" />
<col class="diff-marker" />
<col class="diff-content" />
<tr class="diff-title" lang="en">
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td>
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 16:24, 23 May 2024</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l39">Line 39:</td>
<td colspan="2" class="diff-lineno">Line 39:</td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div></pre></div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div></pre></div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>[[Category:<del style="font-weight: bold; text-decoration: none;">ZINC-22-news</del>]]</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>[[Category:<ins style="font-weight: bold; text-decoration: none;">News</ins>]]</div></td></tr>
<!-- diff cache key wikidb:diff::1.12:old-13879:rev-15891 -->
</table>Frodohttp://wiki.docking.org/index.php?title=ZINC-22:One_time_rearrangement_Jan_25_2022&diff=13879&oldid=prevFrodo: asdf2022-02-01T17:15:01Z<p>asdf</p>
<table style="background-color: #fff; color: #202122;" data-mw="interface">
<col class="diff-marker" />
<col class="diff-content" />
<col class="diff-marker" />
<col class="diff-content" />
<tr class="diff-title" lang="en">
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td>
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 17:15, 1 February 2022</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l38">Line 38:</td>
<td colspan="2" class="diff-lineno">Line 38:</td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>This change affects 100s of millions (but not billions) of molecules.We regret the inconvenience, but it had to be done. </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>This change affects 100s of millions (but not billions) of molecules.We regret the inconvenience, but it had to be done. </div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div></pre></div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div></pre></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"></ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">[[Category:ZINC-22-news]]</ins></div></td></tr>
</table>Frodohttp://wiki.docking.org/index.php?title=ZINC-22:One_time_rearrangement_Jan_25_2022&diff=13849&oldid=prevFrodo: asdf2022-01-26T01:57:32Z<p>asdf</p>
<p><b>New page</b></p><div><pre><br />
We are executing a one-time rearrangement of ZINC-22 3D files as follows. <br />
I am sorry, this is very nerdy. The TL;DR version is: <br />
a. we have moved (are moving) files to make ZINC-22 easier to use.<br />
b. some of your jobs that are running from 4pm Tuesday to 4pm Wednesday may fail as these files move<br />
c. when complete, please use the new SDI files we will announce to run slices that failed. <br />
<br />
OK. longer version:<br />
<br />
Background<br />
--------------<br />
For the first 6-8 months, we stored tgz files directly in the H??[PM]??? directories. thus H??[PM]???/*.tgz<br />
<br />
We then moved to a structure where tgz files are stored in 26 subdirectories [a-z] under H??[PM]???, thus H??[PM]???/[a-z]/*.tgz<br />
<br />
We are doing a one-time rearrangement to homogenize the treatment as follows<br />
<br />
<br />
cd H??[PM]???<br />
if (! -d "a") then<br />
mkdir a<br />
mv *.tgz aendif <br />
<br />
so that all tgz files are now in H??[PM]???/[a-z]/*.tgz and never in H??[PM]???/*.tgz. <br />
<br />
This change was long overdue and is important for making ZINC-22 easy to download. We are updating Wynton and AWS at the same time. <br />
<br />
There was never going to be a great time to do this, as many of you are using ZINC-22, so we just did it today. <br />
<br />
When complete, we will <br />
a. tell you it is complete<br />
b. create new SDI files and tell you about them. <br />
<br />
When complete, some SDI files will no longer work. <br />
If you have a job running, some of your jobs may fail as the files get moved. <br />
The solution is to use the new SDI files and to dock them again.<br />
<br />
This change affects 100s of millions (but not billions) of molecules.We regret the inconvenience, but it had to be done. <br />
</pre></div>Frodo