http://wiki.docking.org/index.php?action=history&feed=atom&title=Category%3AZINC15%3AShell 2026-04-16T14:18:27Z Revision history for this page on the wiki MediaWiki 1.39.1 http://wiki.docking.org/index.php?title=Category:ZINC15:Shell&diff=11302&oldid=prev 2019-01-04T22:24:53Z

<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 22:24, 4 January 2019</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l21">Line 21:</td> <td colspan="2" class="diff-lineno">Line 21:</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>                                   ~Genes.notes.any(ActivityObservation.substance.has(Substance.purchasable &gt;= 10)))</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>                                   ~Genes.notes.any(ActivityObservation.substance.has(Substance.purchasable &gt;= 10)))</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>    </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>    </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>[[Category:<del style="font-weight: bold; text-decoration: none;">ZINC</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;">ZINC15</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;"><div>[[Category:Idioms]]</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:Idioms]]</div></td></tr> <!-- diff cache key wikidb:diff::1.12:old-9122:rev-11302 --> </table>

Khtang http://wiki.docking.org/index.php?title=Category:ZINC15:Shell&diff=9122&oldid=prev 2015-10-01T23:34:07Z

<p>adsf</p> <p><b>New page</b></p><div>== ZINC Shell Idioms ==<br /> <br /> Starting the ZINC shell (from an environment with ZINC15 installed)<br /> <br /> &gt;&gt;&gt; python -m zinc.management shell<br /> <br /> === Examples ===<br /> <br /> ==== Querying for substances ====<br /> <br /> &gt;&gt;&gt; subs = Substance.query.filter(Substance.mwt &lt; 500).all()<br /> <br /> ==== Querying for eukaryotic genes with strong activity observations (notes)<br /> <br /> &gt;&gt;&gt; genes = Gene.query.filter(Genes.organism.has(Organism.code == &#039;E&#039;), Genes.notes.any(ActivityObservation.affinity &gt; 6))<br /> <br /> ==== Quering for eukaryotic Genes with strong activities and also no purchasable compounds<br /> <br /> &gt;&gt;&gt; genes = Gene.query.filter(Genes.organism.has(Organism.code == &#039;E&#039;), \<br /> Genes.notes.any(ActivityObservation.affinity &gt; 6), \<br /> ~Genes.notes.any(ActivityObservation.substance.has(Substance.purchasable &gt;= 10)))<br /> <br /> [[Category:ZINC]]<br /> [[Category:Idioms]]</div>

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