http://wiki.docking.org/index.php?action=history&feed=atom&title=Interacting_with_Chemaxon_dataset 2026-04-16T18:57:44Z Revision history for this page on the wiki MediaWiki 1.39.1 http://wiki.docking.org/index.php?title=Interacting_with_Chemaxon_dataset&diff=6177&oldid=prev 2014-02-15T18:05:12Z

<p></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 18:05, 15 February 2014</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l29">Line 29:</td> <td colspan="2" class="diff-lineno">Line 29:</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>4. &#039;&#039;&#039;if a &quot;Connecting Fields&quot; window appears, in the third column for REFERENCE row  select FIELD_0&#039;&#039;&#039;</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>4. &#039;&#039;&#039;if a &quot;Connecting Fields&quot; window appears, in the third column for REFERENCE row  select FIELD_0&#039;&#039;&#039;</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;"></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:Aggregator Advisor]]</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:Manual]]</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:Sysadmin]]</ins></div></td></tr> <!-- diff cache key wikidb:diff::1.12:old-3414:rev-6177 --> </table>

Frodo http://wiki.docking.org/index.php?title=Interacting_with_Chemaxon_dataset&diff=3414&oldid=prev 2012-10-08T20:27:51Z

<p>4 revisions</p> <p><b>New page</b></p><div>the jcman utility and its frontend can be used for viewing and modifying the aggregator database. This tutorial demonstrates how to use JCman UI from the local machine. <br /> <br /> ==Using Jcman to connect to aggregator database==<br /> <br /> 1. Establish a SSH link to the server machine<br /> <br /> ssh -L 3306:localhost:3306 gurgen@gurgendev.bkslab.org<br /> you will be prompted for password <br /> <br /> 2. run jcman<br /> <br /> 3. a confirguration windows will popup. <br /> JDBC driver: com.mysql.jdbc.Driver <br /> database url: jdbc:mysql://localhost/Aggregates<br /> username: mysqlusr<br /> password:<br /> <br /> The database contains three tables: aggregators, non-aggregators, ambigous<br /> <br /> you can load any .smi files tab delimeted, with reference string in the second field counting from one<br /> <br /> To load any smiles, <br /> <br /> 1. in the user interface click import icon,<br /> <br /> 2. in the new window choose the database(e.g aggregators)<br /> <br /> 3. select the file to load (in .smi format), click ok<br /> <br /> 4. &#039;&#039;&#039;if a &quot;Connecting Fields&quot; window appears, in the third column for REFERENCE row select FIELD_0&#039;&#039;&#039;</div>

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