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Performing a Query on 22B Molecules - Revision history
2024-03-28T14:10:55Z
Revision history for this page on the wiki
MediaWiki 1.39.1
http://wiki.docking.org/index.php?title=Performing_a_Query_on_22B_Molecules&diff=12477&oldid=prev
Btingle: /* Logging in to the Round Table Manager */
2020-04-17T23:23:14Z
<p><span dir="auto"><span class="autocomment">Logging in to the Round Table Manager</span></span></p>
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 23:23, 17 April 2020</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;"><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>== Logging in to the Round Table Manager ==</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>== Logging in to the Round Table Manager ==</div></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>Currently, the round table manager is hosted at 10.20.5.35:8010. You must sign up first, then you will be able to query/upload databases.</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>Currently, the round table manager is hosted at 10.20.5.35:8010. You must sign up first, then you will be able to query/upload databases<ins style="font-weight: bold; text-decoration: none;">. Please contact me at btingle@mail.sfsu.edu if you need your account to be approved</ins>.</div></td></tr>
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Btingle
http://wiki.docking.org/index.php?title=Performing_a_Query_on_22B_Molecules&diff=12476&oldid=prev
Btingle: /* Logging in to the Round Table Manager */
2020-04-17T23:22:40Z
<p><span dir="auto"><span class="autocomment">Logging in to the Round Table Manager</span></span></p>
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 23:22, 17 April 2020</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>== Logging in to the Round Table Manager ==</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>== Logging in to the Round Table Manager ==</div></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>Currently, the round table manager is hosted at 10.20.5.35:8010. You <del style="font-weight: bold; text-decoration: none;">will be prompted with a login screen, where you can log in using username "admin" and password "bkslab". Once you've logged in</del>, you will be <del style="font-weight: bold; text-decoration: none;">greeted with 5 options </del>to <del style="font-weight: bold; text-decoration: none;">choose from..</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>Currently, the round table manager is hosted at 10.20.5.35:8010. You <ins style="font-weight: bold; text-decoration: none;">must sign up first</ins>, <ins style="font-weight: bold; text-decoration: none;">then </ins>you will be <ins style="font-weight: bold; text-decoration: none;">able </ins>to <ins style="font-weight: bold; text-decoration: none;">query/upload databases</ins>.</div></td></tr>
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Btingle
http://wiki.docking.org/index.php?title=Performing_a_Query_on_22B_Molecules&diff=12475&oldid=prev
Btingle at 23:21, 17 April 2020
2020-04-17T23:21:18Z
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 23:21, 17 April 2020</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>Currently, the round table manager is hosted at 10.20.5.35:8010. You will be prompted with a login screen, where you can log in using username "admin" and password "bkslab". Once you've logged in, you will be greeted with 5 options to choose from...</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>Currently, the round table manager is hosted at 10.20.5.35:8010. You will be prompted with a login screen, where you can log in using username "admin" and password "bkslab". Once you've logged in, you will be greeted with 5 options to choose from...</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>[[File:<del style="font-weight: bold; text-decoration: none;">Managerscreencap</del>.PNG]]</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>[[File:<ins style="font-weight: bold; text-decoration: none;">manager-2</ins>.PNG]]</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;"><div>== Performing a query on multiple databases ==</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>== Performing a query on multiple databases ==</div></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>There are two different query options you can choose from in the manager; "QUERY/SIM" and "QUERY/SUB". Navigating to "QUERY/SIM" will allow you to perform a similarity query, whereas "QUERY/SUB" is for every other type of query- Substructure, SMARTS, or Molecular Formula. Once you've input your query string and selected the query type you may select which databases you want to perform the query on. Press "submit" and you will be redirected to the /jobs page, where you can see the current status of your query request. Once your query has finished, click the "GET RESULTS" link above it's job entry, this will yield you a <del style="font-weight: bold; text-decoration: none;">gzipped </del>file containing the full results.</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>There are two different query options you can choose from in the manager; "QUERY/SIM" and "QUERY/SUB". Navigating to "QUERY/SIM" will allow you to perform a similarity query, whereas "QUERY/SUB" is for every other type of query- Substructure, SMARTS, or Molecular Formula. Once you've input your query string and selected the query type you may select which databases you want to perform the query on. Press "submit" and you will be redirected to the /jobs page, where you can see the current status of your query request. Once your query has finished, <ins style="font-weight: bold; text-decoration: none;">click on your query job, then </ins>click the "GET RESULTS" link above it's job entry, this will yield you a file containing the full results <ins style="font-weight: bold; text-decoration: none;">of your query</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" 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>[[File:<del style="font-weight: bold; text-decoration: none;">Query_example</del>.PNG]]</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>[[File:<ins style="font-weight: bold; text-decoration: none;">manager-2-query</ins>.PNG]]</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;"><div>== Uploading a new Database ==</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>== Uploading a new Database ==</div></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>From the index, navigate to /upload. On this page you can select a SMILES database to upload to the round table network. <del style="font-weight: bold; text-decoration: none;">This </del>can <del style="font-weight: bold; text-decoration: none;">also be done </del>from <del style="font-weight: bold; text-decoration: none;">the command line: e.g if </del>you<del style="font-weight: bold; text-decoration: none;">'re uploading </del>a <del style="font-weight: bold; text-decoration: none;">very large SMILES database stored somewhere </del>on the <del style="font-weight: bold; text-decoration: none;">cluster that you can't </del>upload from <del style="font-weight: bold; text-decoration: none;">your browser</del>. <del style="font-weight: bold; text-decoration: none;">I've created a script that simplifies this process, located on /exa/work/xyz, called upload_file.py. Here's how to use it</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>From the index, navigate to /upload. On this page you can select a SMILES database to upload to the round table network. <ins style="font-weight: bold; text-decoration: none;">You </ins>can <ins style="font-weight: bold; text-decoration: none;">either upload the file </ins>from <ins style="font-weight: bold; text-decoration: none;">your browser (No file over 1GB are allowed), or </ins>you <ins style="font-weight: bold; text-decoration: none;">can specify </ins>a <ins style="font-weight: bold; text-decoration: none;">path </ins>on the <ins style="font-weight: bold; text-decoration: none;">NFS to </ins>upload from.</div></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><del style="font-weight: bold; text-decoration: none;"> python upload_file.py /path/to/smiles/file.smi</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><ins style="font-weight: bold; text-decoration: none;">[[File</ins>:manager<ins style="font-weight: bold; text-decoration: none;">-2-</ins>upload.<ins style="font-weight: bold; text-decoration: none;">PNG]]</ins></div></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><del style="font-weight: bold; text-decoration: none;">This script will correctly upload your desired file to the </del>manager<del style="font-weight: bold; text-decoration: none;">. Depending on the size of the file, it may take a long time to </del>upload. <del style="font-weight: bold; text-decoration: none;">I would recommend running this script in the background, or on a detached screen.</del></div></td><td colspan="2" class="diff-side-added"></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>== Building a new Index ==</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>== Building a new Index ==</div></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>Different types of queries require different types of indexes to be built for the database. Queries under "QUERY/SIM" require ".atfp" indexes, whereas queries under "QUERY/SUB" require ".atdb" indexes. If a database doesn't have the indexes it needs, it can't be queried. <del style="font-weight: bold; text-decoration: none;">The /build tab will give </del>you <del style="font-weight: bold; text-decoration: none;">two lists </del>to <del style="font-weight: bold; text-decoration: none;">select from: one is a list of all the databases that don't have .atdb indexes</del>, <del style="font-weight: bold; text-decoration: none;">and the other is a list of all </del>the <del style="font-weight: bold; text-decoration: none;">databases that don't have .atfp indexes. You can select which databases you want to build </del>indexes for <del style="font-weight: bold; text-decoration: none;">and submit the job(s). Be </del>warned that <del style="font-weight: bold; text-decoration: none;">building indexes can </del>take a long time<del style="font-weight: bold; text-decoration: none;">!</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>Different types of queries require different types of indexes to be built for the database. Queries under "QUERY/SIM" require ".atfp" indexes, whereas queries under "QUERY/SUB" require ".atdb" indexes. If a database doesn't have the indexes it needs, it can't be queried. <ins style="font-weight: bold; text-decoration: none;">When </ins>you <ins style="font-weight: bold; text-decoration: none;">upload a file </ins>to <ins style="font-weight: bold; text-decoration: none;">arthor</ins>, <ins style="font-weight: bold; text-decoration: none;">it will automatically generate </ins>the indexes for <ins style="font-weight: bold; text-decoration: none;">this file- be </ins>warned that <ins style="font-weight: bold; text-decoration: none;">this may </ins>take a long time, <ins style="font-weight: bold; text-decoration: none;">so don't expect immediate results</ins>.</div></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> </div></td><td colspan="2" class="diff-side-added"></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><del style="font-weight: bold; text-decoration: none;">== Other Endpoints ==</del></div></td><td colspan="2" class="diff-side-added"></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><del style="font-weight: bold; text-decoration: none;">/nodestats - gives you the statistics of all available node servers in the round table network</del></div></td><td colspan="2" class="diff-side-added"></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> </div></td><td colspan="2" class="diff-side-added"></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><del style="font-weight: bold; text-decoration: none;">/dbstats - gives you a list of all the databases and their properties</del></div></td><td colspan="2" class="diff-side-added"></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> </div></td><td colspan="2" class="diff-side-added"></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><del style="font-weight: bold; text-decoration: none;">/rmdb/<db> - remove a smiles database from the manager app</del>, <del style="font-weight: bold; text-decoration: none;">useful if you accidentally upload something that is not a SMILES file</del>. <del style="font-weight: bold; text-decoration: none;">Please use with caution!</del></div></td><td colspan="2" class="diff-side-added"></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> </div></td><td colspan="2" class="diff-side-added"></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><del style="font-weight: bold; text-decoration: none;">/jobs/all - view jobs from all users. This is where your upload jobs will be shown if you uploaded via command line</del></div></td><td colspan="2" class="diff-side-added"></td></tr>
<!-- diff cache key wikidb:diff::1.12:old-12464:rev-12475 -->
</table>
Btingle
http://wiki.docking.org/index.php?title=Performing_a_Query_on_22B_Molecules&diff=12464&oldid=prev
Btingle: /* Performing a query on multiple databases */
2020-04-16T20:57:23Z
<p><span dir="auto"><span class="autocomment">Performing a query on multiple databases</span></span></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 20:57, 16 April 2020</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l12">Line 12:</td>
<td colspan="2" class="diff-lineno">Line 12:</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>There are two different query options you can choose from in the manager; "QUERY/SIM" and "QUERY/SUB". Navigating to "QUERY/SIM" will allow you to perform a similarity query, whereas "QUERY/SUB" is for every other type of query- Substructure, SMARTS, or Molecular Formula. Once you've input your query string and selected the query type you may select which databases you want to perform the query on. Press "submit" and you will be redirected to the /jobs page, where you can see the current status of your query request. Once your query has finished, click the "GET RESULTS" link above it's job entry, this will yield you a gzipped file containing the full results.</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>There are two different query options you can choose from in the manager; "QUERY/SIM" and "QUERY/SUB". Navigating to "QUERY/SIM" will allow you to perform a similarity query, whereas "QUERY/SUB" is for every other type of query- Substructure, SMARTS, or Molecular Formula. Once you've input your query string and selected the query type you may select which databases you want to perform the query on. Press "submit" and you will be redirected to the /jobs page, where you can see the current status of your query request. Once your query has finished, click the "GET RESULTS" link above it's job entry, this will yield you a gzipped file containing the full results.</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>[[File:<del style="font-weight: bold; text-decoration: none;">query_example</del>.<del style="font-weight: bold; text-decoration: none;">png</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>[[File:<ins style="font-weight: bold; text-decoration: none;">Query_example</ins>.<ins style="font-weight: bold; text-decoration: none;">PNG</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;"><div>== Uploading a new Database ==</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>== Uploading a new Database ==</div></td></tr>
</table>
Btingle
http://wiki.docking.org/index.php?title=Performing_a_Query_on_22B_Molecules&diff=12463&oldid=prev
Btingle: /* Performing a query on multiple databases */
2020-04-16T20:57:13Z
<p><span dir="auto"><span class="autocomment">Performing a query on multiple databases</span></span></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 20:57, 16 April 2020</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l12">Line 12:</td>
<td colspan="2" class="diff-lineno">Line 12:</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>There are two different query options you can choose from in the manager; "QUERY/SIM" and "QUERY/SUB". Navigating to "QUERY/SIM" will allow you to perform a similarity query, whereas "QUERY/SUB" is for every other type of query- Substructure, SMARTS, or Molecular Formula. Once you've input your query string and selected the query type you may select which databases you want to perform the query on. Press "submit" and you will be redirected to the /jobs page, where you can see the current status of your query request. Once your query has finished, click the "GET RESULTS" link above it's job entry, this will yield you a gzipped file containing the full results.</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>There are two different query options you can choose from in the manager; "QUERY/SIM" and "QUERY/SUB". Navigating to "QUERY/SIM" will allow you to perform a similarity query, whereas "QUERY/SUB" is for every other type of query- Substructure, SMARTS, or Molecular Formula. Once you've input your query string and selected the query type you may select which databases you want to perform the query on. Press "submit" and you will be redirected to the /jobs page, where you can see the current status of your query request. Once your query has finished, click the "GET RESULTS" link above it's job entry, this will yield you a gzipped file containing the full results.</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>[[File:query_example.<del style="font-weight: bold; text-decoration: none;">jpg</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>[[File:query_example.<ins style="font-weight: bold; text-decoration: none;">png</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;"><div>== Uploading a new Database ==</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>== Uploading a new Database ==</div></td></tr>
<!-- diff cache key wikidb:diff::1.12:old-12462:rev-12463 -->
</table>
Btingle
http://wiki.docking.org/index.php?title=Performing_a_Query_on_22B_Molecules&diff=12462&oldid=prev
Btingle: /* Performing a query on multiple databases */
2020-04-16T20:56:46Z
<p><span dir="auto"><span class="autocomment">Performing a query on multiple databases</span></span></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 20:56, 16 April 2020</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l12">Line 12:</td>
<td colspan="2" class="diff-lineno">Line 12:</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>There are two different query options you can choose from in the manager; "QUERY/SIM" and "QUERY/SUB". Navigating to "QUERY/SIM" will allow you to perform a similarity query, whereas "QUERY/SUB" is for every other type of query- Substructure, SMARTS, or Molecular Formula. Once you've input your query string and selected the query type you may select which databases you want to perform the query on. Press "submit" and you will be redirected to the /jobs page, where you can see the current status of your query request. Once your query has finished, click the "GET RESULTS" link above it's job entry, this will yield you a gzipped file containing the full results.</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>There are two different query options you can choose from in the manager; "QUERY/SIM" and "QUERY/SUB". Navigating to "QUERY/SIM" will allow you to perform a similarity query, whereas "QUERY/SUB" is for every other type of query- Substructure, SMARTS, or Molecular Formula. Once you've input your query string and selected the query type you may select which databases you want to perform the query on. Press "submit" and you will be redirected to the /jobs page, where you can see the current status of your query request. Once your query has finished, click the "GET RESULTS" link above it's job entry, this will yield you a gzipped file containing the full results.</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>[[File:<del style="font-weight: bold; text-decoration: none;">Query_example</del>.jpg]]</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>[[File:<ins style="font-weight: bold; text-decoration: none;">query_example</ins>.jpg]]</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;"><div>== Uploading a new Database ==</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>== Uploading a new Database ==</div></td></tr>
</table>
Btingle
http://wiki.docking.org/index.php?title=Performing_a_Query_on_22B_Molecules&diff=12461&oldid=prev
Btingle: /* Performing a query on multiple databases */
2020-04-16T20:56:09Z
<p><span dir="auto"><span class="autocomment">Performing a query on multiple databases</span></span></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 20:56, 16 April 2020</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l10">Line 10:</td>
<td colspan="2" class="diff-lineno">Line 10:</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>== Performing a query on multiple databases ==</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>== Performing a query on multiple databases ==</div></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>There are two different query options you can choose from in the manager; "QUERY/SIM" and "QUERY/SUB". Navigating to "QUERY/SIM" will allow you to perform a similarity query, whereas "QUERY/SUB" is for every other type of query- Substructure, SMARTS, or Molecular Formula. Once you've input your query string and selected the query type you may select which databases you want to perform the query on. Press "submit" and you will be redirected to the /jobs page, where you can see the current status of your query request. Once your query has finished, click the "GET RESULTS" link above it's job entry, this will yield you a gzipped file containing the full results. </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>There are two different query options you can choose from in the manager; "QUERY/SIM" and "QUERY/SUB". Navigating to "QUERY/SIM" will allow you to perform a similarity query, whereas "QUERY/SUB" is for every other type of query- Substructure, SMARTS, or Molecular Formula. Once you've input your query string and selected the query type you may select which databases you want to perform the query on. Press "submit" and you will be redirected to the /jobs page, where you can see the current status of your query request. Once your query has finished, click the "GET RESULTS" link above it's job entry, this will yield you a gzipped file containing the full results.</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> </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;">[[File:Query_example.jpg]]</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;"><div>== Uploading a new Database ==</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>== Uploading a new Database ==</div></td></tr>
</table>
Btingle
http://wiki.docking.org/index.php?title=Performing_a_Query_on_22B_Molecules&diff=12455&oldid=prev
Btingle: /* Introduction */
2020-04-15T22:40:47Z
<p><span dir="auto"><span class="autocomment">Introduction</span></span></p>
<table style="background-color: #fff; color: #202122;" data-mw="interface">
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<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 22:40, 15 April 2020</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l1">Line 1:</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>== Introduction ==</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>== Introduction ==</div></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>Say you are a scientist, and you need to find all the molecules you can that match a specific query. To start, you could go to the arthor round table server (10.20.<del style="font-weight: bold; text-decoration: none;">1</del>.136:8080/arthor-rt-host) and perform your query on each of the databases numbered 1 -> 46. When combined these databases contain over 22 Billion molecules! The problem is that it can be quite time consuming to query each database and download the results by hand-- there has to be a better way! </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>Say you are a scientist, and you need to find all the molecules you can that match a specific query. To start, you could go to the arthor round table server (10.20.<ins style="font-weight: bold; text-decoration: none;">10</ins>.136:8080/arthor-rt-host) and perform your query on each of the databases numbered 1 -> 46. When combined these databases contain over 22 Billion molecules! The problem is that it can be quite time consuming to query each database and download the results by hand-- there has to be a better way! </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;"><div>Luckily enough, there is. Introducing the round table manager web app!</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>Luckily enough, there is. Introducing the round table manager web app!</div></td></tr>
</table>
Btingle
http://wiki.docking.org/index.php?title=Performing_a_Query_on_22B_Molecules&diff=12454&oldid=prev
Btingle: /* Other Endpoints */
2020-04-15T22:22:40Z
<p><span dir="auto"><span class="autocomment">Other Endpoints</span></span></p>
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 22:22, 15 April 2020</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>/rmdb/<db> - remove a smiles database from the manager app, useful if you accidentally upload something that is not a SMILES file. Please use with caution!</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>/rmdb/<db> - remove a smiles database from the manager app, useful if you accidentally upload something that is not a SMILES file. Please use with caution!</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;">/jobs/all - view jobs from all users. This is where your upload jobs will be shown if you uploaded via command line</ins></div></td></tr>
</table>
Btingle
http://wiki.docking.org/index.php?title=Performing_a_Query_on_22B_Molecules&diff=12453&oldid=prev
Btingle: /* Other Endpoints */
2020-04-15T22:19:23Z
<p><span dir="auto"><span class="autocomment">Other Endpoints</span></span></p>
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 22:19, 15 April 2020</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>/dbstats - gives you a list of all the databases and their properties</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>/dbstats - gives you a list of all the databases and their properties</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;">/rmdb/<db> - remove a smiles database from the manager app, useful if you accidentally upload something that is not a SMILES file. Please use with caution!</ins></div></td></tr>
</table>
Btingle