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 [email protected] <mailto:[email protected]> https://lists.sourceforge.net/lists/listinfo/cdk-user
------------------------------------------------------------------------------ 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/
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