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Category:ZINC15:Shell - Revision history
2024-03-29T07:42:14Z
Revision history for this page on the wiki
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http://wiki.docking.org/index.php?title=Category:ZINC15:Shell&diff=11302&oldid=prev
Khtang at 22:24, 4 January 2019
2019-01-04T22:24:53Z
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 22:24, 4 January 2019</td>
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Khtang
http://wiki.docking.org/index.php?title=Category:ZINC15:Shell&diff=9122&oldid=prev
Frodo: adsf
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 />
>>> python -m zinc.management shell<br />
<br />
=== Examples ===<br />
<br />
==== Querying for substances ====<br />
<br />
>>> subs = Substance.query.filter(Substance.mwt < 500).all()<br />
<br />
==== Querying for eukaryotic genes with strong activity observations (notes)<br />
<br />
>>> genes = Gene.query.filter(Genes.organism.has(Organism.code == 'E'), Genes.notes.any(ActivityObservation.affinity > 6))<br />
<br />
==== Quering for eukaryotic Genes with strong activities and also no purchasable compounds<br />
<br />
>>> genes = Gene.query.filter(Genes.organism.has(Organism.code == 'E'), \<br />
Genes.notes.any(ActivityObservation.affinity > 6), \<br />
~Genes.notes.any(ActivityObservation.substance.has(Substance.purchasable >= 10)))<br />
<br />
[[Category:ZINC]]<br />
[[Category:Idioms]]</div>
Frodo