http://wiki.docking.org/index.php?action=history&feed=atom&title=News_of_2023-02_Feb 2026-04-17T21:51:21Z Revision history for this page on the wiki MediaWiki 1.39.1 http://wiki.docking.org/index.php?title=News_of_2023-02_Feb&diff=16450&oldid=prev 2024-11-22T16:26:35Z

<p>Frodo moved page <a href="/index.php?title=ZINC-22:Revision_of_Feb_23" class="mw-redirect" title="ZINC-22:Revision of Feb 23">ZINC-22:Revision of Feb 23</a> to <a href="/index.php?title=News_of_2023-02_Feb" title="News of 2023-02 Feb">News of 2023-02 Feb</a></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 16:26, 22 November 2024</td> </tr> <!-- diff cache key wikidb:diff::1.12:old-15899:rev-16450 --> </table>

Frodo http://wiki.docking.org/index.php?title=News_of_2023-02_Feb&diff=15899&oldid=prev 2024-05-23T16:28:38Z

<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 16:28, 23 May 2024</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l20">Line 20:</td> <td colspan="2" class="diff-lineno">Line 20:</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"></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> </table>

Frodo http://wiki.docking.org/index.php?title=News_of_2023-02_Feb&diff=13917&oldid=prev 2022-02-24T01:39:59Z

<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 01:39, 24 February 2022</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l15">Line 15:</td> <td colspan="2" class="diff-lineno">Line 15:</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>== note ==</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>== note ==</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>I&#039;m really not quite sure what happened with H29, those databases had been abandoned for so long that we probably missed some critical error with them, the zinc ids are just entirely off for some of them. Existing H29 built molecules should be fine, though this is something I am double checking.</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>I&#039;m really not quite sure what happened with H29, those databases had been abandoned for so long that we probably missed some critical error with them, the zinc ids are just entirely off for some of them. Existing H29 built molecules should be fine, though this is something I am double checking.</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;">== also ==</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;">* H29P340 - wiped everywhere. 2d-01 to 08, 12, 15 everything.</ins></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"></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"></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>[[Category:ZINC-22-news]]</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>[[Category:ZINC-22-news]]</div></td></tr> </table>

Frodo http://wiki.docking.org/index.php?title=News_of_2023-02_Feb&diff=13915&oldid=prev 2022-02-23T17:19:52Z

<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 17:19, 23 February 2022</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l17">Line 17:</td> <td colspan="2" class="diff-lineno">Line 17:</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"></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;">ZINC22</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;">ZINC-22-news</ins>]]</div></td></tr> <!-- diff cache key wikidb:diff::1.12:old-13913:rev-13915 --> </table>

Frodo http://wiki.docking.org/index.php?title=News_of_2023-02_Feb&diff=13913&oldid=prev 2022-02-23T17:18:02Z

<p>asdf</p> <p><b>New page</b></p><div>On Feb 23, 2022 we made the following changes to ZINC-22. <br /> <br /> == what happened ==<br /> The following tranches in 2d-15-diff were damaged. All 3D built versions of these molecules (under /zinc-22d/. and called _15.smi ) were deleted. <br /> <br /> * H24M000, H24P160, H24P170, H24P180<br /> * H27P200, H27P210, H27P230, H27P240<br /> * H29P200, H29P220, H29P230, H29P270, H29P280<br /> * H29P340, H29P350, H29P360, H29P380, H29P390, H29P400<br /> <br /> == explanation ==<br /> <br /> Don&#039;t build any of these tranches in 2d-15-diff, if you have built molecules from these tranches delete them. For the H24-H27 tranches, somehow the non-escaped versions of the smiles are still on the database, so there are a bunch of clobbered smiles in the diff. (meaning that the smiles in the diff are missing backslashes) <br /> <br /> == note ==<br /> I&#039;m really not quite sure what happened with H29, those databases had been abandoned for so long that we probably missed some critical error with them, the zinc ids are just entirely off for some of them. Existing H29 built molecules should be fine, though this is something I am double checking.<br /> <br /> <br /> [[Category:ZINC22]]</div>

Frodo