http://wiki.docking.org/index.php?action=history&feed=atom&title=Legacy_IDs_in_ZINC22Legacy IDs in ZINC22 - Revision history2026-04-10T08:27:45ZRevision history for this page on the wikiMediaWiki 1.39.1http://wiki.docking.org/index.php?title=Legacy_IDs_in_ZINC22&diff=14363&oldid=prevBtingle at 18:09, 30 June 20222022-06-30T18:09:55Z<p></p>
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 18:09, 30 June 2022</td>
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<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>Over time these anomalies should become less frequent, and eventually non-existent. Thank you for your patience in the meantime!</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>Over time these anomalies should become less frequent, and eventually non-existent. Thank you for your patience in the meantime!</div></td></tr>
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<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;">=== Cartblanche Not Working? ===</ins></div></td></tr>
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<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;">BKS cluster members can follow the instructions on this page: [[Search zinc22.py]] to look up ZINC IDs and vendor codes outside of cartblanche. We apologize for the inconvenience!</ins></div></td></tr>
</table>Btinglehttp://wiki.docking.org/index.php?title=Legacy_IDs_in_ZINC22&diff=14226&oldid=prevBtingle: Created page with "ZINC22 is by far the largest chemical database this lab has built, and with it's fantastic size we have found fantastic new difficulties. When we receive chemical libraries f..."2022-05-19T21:40:42Z<p>Created page with "ZINC22 is by far the largest chemical database this lab has built, and with it's fantastic size we have found fantastic new difficulties. When we receive chemical libraries f..."</p>
<p><b>New page</b></p><div>ZINC22 is by far the largest chemical database this lab has built, and with it's fantastic size we have found fantastic new difficulties.<br />
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When we receive chemical libraries from vendors, they need to be processed and then uploaded to the database. The difference between the newly uploaded data and the existing data then gets exported for further processing in the 3D pipeline (where dock-able files are created). In the past, we have had bugs occur during the processing and difference calculating steps, which lead to incorrect identifiers being exported to 3D molecules. We are doing (and have done) our best to fix these problems, however some of these incorrect identifiers remain in our library. <br />
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The bottom line:<br />
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If you encounter molecule(s) or supplier code(s) that won't look up, contact us and we can find it for you. Contact ben@tingle.org, ccing khtang015@gmail.com and josecastanon4@gmail.com <br />
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Over time these anomalies should become less frequent, and eventually non-existent. Thank you for your patience in the meantime!</div>Btingle