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Re: [Cdk-user] Cdk-user Digest, Vol 64, Issue 5
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From: Joos K. <jo...@su...> - 2011-09-09 14:55:38
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Hi Nina, ok but you can do the pre-screen in library too and thats exactly what i did. Mor eon this shortly in a new thread. Best Regards, Joos Am 09.09.2011 16:11, schrieb Nina Jeliazkova: > > I'm not sure how you differentiate library vs database search? To > explain myself: graph matching is not done natively in a relational > database so you need somekind of library/add-in/carrtridge anyway? > Where is the advanatge of a database in the graph matching step? > > > > One thing is pre-screening, which can be on the DB level as well (even > without cartridges), without loading structures at all for example. > The graph matching procedure from a db system may not even be called > for all structures, when running particular search, so one may not be > testing the same thing. > > Nina > > > Best Regards, > > Joos > > Am 09.09.2011 02:37, schrieb Syed Asad Rahman: > > Hi Joos, I concur with Nina's view on library vs database search. > > > > Just wondering if you had used the right code... > > > > > https://github.com/asad/SMSD/tree/master/src/org/openscience/smsd/algorithm/vflib/substructure > > > > Kind test it with the above code. > > > > or use > > > https://github.com/asad/SMSD/blob/master/src/org/openscience/smsd/Substructure.java > > > > Asad > > > > > ------------------------------------------------------------------------------ > Why Cloud-Based Security and Archiving Make Sense > Osterman Research conducted this study that outlines how and why cloud > computing security and archiving is rapidly being adopted across > the IT > space for its ease of implementation, lower cost, and increased > reliability. Learn more. > http://www.accelacomm.com/jaw/sfnl/114/51425301/ > _______________________________________________ > Cdk-user mailing list > Cdk...@li... <mailto:Cdk...@li...> > https://lists.sourceforge.net/lists/listinfo/cdk-user > > |