On Thursday 29 December 2005 19:27, RAJARSHI GUHA wrote: > On Thu, 29 Dec 2005 18:19:33 +0100, Claus wrote: > > Absolutely! A lot of us working with chemical information (and not in a > > computational chemistry setting) simply need to store data in a > > database for everyone else to query. Our user base do not understand > > much about code, databases etc so they want and easy interface and then > > quick answers! So I think an extention of the cdkweb would help others > > in similar situations like me. > > I've been watching this thread with interest. I realize that the discussion > is about the use of the CDK with databases, but I was recently reading > about the PostgreSQL/Openeye combination (I think its called Chord). > > I was wondering whether anybody had any experience with the PostgreSQL API > and the possibility of interfacing it with the CDK - it would lead to a > open source application on the style of Oracle catridges provided by > Openeye, Chemaxon, MDL et al. (and CHORD) > > I do know that the PostgreSQL API is C based so I'm not sure how > easy/useful it would be to interface the CDK.
Java uses a general JDBC for interaction with database; it's the java version of the general ODBC architecture. Databases provide ODBC drivers, and users just know the JDBC/ODBC layer. The DBReader/DBWriter use JDBC, and I assume NMRShiftDB does too. It's just the way to go. So, changing MySQL for PostGreSQL is just a matter of installing the right driver. Actually, both drivers used to be in CDK CVS, or maybe still are! > Another alternative approach would be to go via JDBC - Oh... I should make a habit of reading the full email before starting to reply :) > but try and specify > a set of basic tables that would be useable as a basic framework for > storage of molecular data - if extra information is needed a user could add > his own tables. > > But maybe this has already been done as part of the NMRShiftDB project - if > thats the case it seems like a generalizable aspect and something that > would be useful on its own. See above. Egon -- [EMAIL PROTECTED] Blog: http://chem-bla-ics.blogspot.com/ GPG: 1024D/D6336BA6 ------------------------------------------------------- This SF.net email is sponsored by: Splunk Inc. Do you grep through log files for problems? Stop! Download the new AJAX search engine that makes searching your log files as easy as surfing the web. DOWNLOAD SPLUNK! http://ads.osdn.com/?ad_id=7637&alloc_id=16865&op=click _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
