Nina, thank you very much for the links and info!!! > On 11 November 2011 11:36, David García Aristegui > <ariste...@cbm.uam.es>wrote: > >> "store it alongside the database records as mychem does it" mmmmmmm, >> where? for me is unclear the MyChem database schema (obserialized >> field). >> >> A good example of chemical structures database is MolDB, by the way!!! >> http://merian.pch.univie.ac.at/~nhaider/cheminf/moldb5.html >> >> > > If assuming MySQL, then use BigInt , allows to use MySQL boolean functions > from SQL (e.g. calculate similarity without loading fingerprints in > memory) > > As in > http://ambit.sourceforge.net/AMBIT2-LIBS/ambit2-db/index.html > > > http://ambit.sourceforge.net/download_ambitrest.html > > Best regards, > Nina > > Best regards. >> >> > Hello, >> > >> >>Does anyone know what is the best way to store the fastsearch index >> (to >> >>reuse it) in a chemical structures database? best field type to store >> it? >> >>(i'm using MySQL). >> > >> > you could: >> > >> > - store it outside the database in a file with pointers to the records >> in >> > the database as Craig A. James suggested >> > - store it outside the database in memory with pointers to the records >> as >> > the Infochem cartridge for Oracle does it >> > - store it alongside the database records as mychem does it >> > - store it in a true database index structure as pgchem and Bingo do >> it >> > (because PostgreSQL allows to do this through an official API as >> Oracle >> > does too) >> > >> > I agree that the worst idea is to store the file as a huge BLOB in the >> > database as MDL/Symyx/Accelrys apparently does. It is fast for >> searching, >> > but a nightmare in all cases the index has to be altered (i.e. >> > INSERT/UPDATE/DELETE) since you have to go through the DBMSes BLOB >> > handling routines then. >> > >> > best regards, >> > >> > Ernst-Georg >> > >> >> >> >> >> ------------------------------------------------------------------------------ >> RSA(R) Conference 2012 >> Save $700 by Nov 18 >> Register now >> http://p.sf.net/sfu/rsa-sfdev2dev1 >> _______________________________________________ >> OpenBabel-discuss mailing list >> OpenBabel-discuss@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >> >
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