Adding a able of type 'QueryStructures to a Rails App

Hello,

I have installed JChemBase and I used it to created a table 'Structures'  on which I perform superstructure searches by calling jcsearch from a script.

I would like to create the query table 'Structures' as a model for a rails application, so that my tool will have one unique database. However, I do not know how if it is possible to use JChemBase to add just a table (Structures) as a rails model. It might also add the table "JChemProperties" as usual. But I would like to have only one database with my rails models and also the 'Structures ' and 'JChemPRoperties' tables.

How can I deal with this?

 

Thank you

MrYan

Dear MrYan,

Could you confirm that I understood you well. You want to use the JChemBase to create conventional (non-formatted) DB table for arbitrary data storage coming from your rails application (so you could use just one DB service). 

 

Best Regards,

Norbert

Well,

I do not know what you mean by non-formatted. I want the table to be of type QueryStructures. I want to be able to import molecules in there upon normlaziation process (aromatization, ...). But I would like it to be only a table with usual attributes (name, structure, fingerprints, smiles, smarts, etc...). This table will correspond to a model.. I have 2 options. either creating the table with JChemBase and just adding it to the already established database, or creating a new model and updating it with Chem Base (however, I am afraid that I might loose some of the advantages of using JChemBase properties using this method).

I hope I was able to explain it better.

Thank you.

Yannick

Dear Yannick,

I am sorry, I misunderstood your previous post.

The easiest way to add a query table to an already existing DB (to manage in general) is to use JChemManager. You may find this application among your binaries under the name of ‘jcman’. A detailed description of the functionalities of jcman could be found here: http://www.chemaxon.com/jchem/doc/admin/  which also gives you some hints how to create a table with usual attributes (name, structure, fingerprints, smiles, smarts, etc...) and with custom too, depending on your model. Please, check this document.

I hope I have answered your question. If it is not so, please let me know.

Norbert

Dear Yannick,

JChemBase tables should only be created and modified (insert, update, delete) via the JChem Base API, or applications using this API (e.g. JChemManager, Instant JChem).

It you want to create or modify tables with structure data, you can do that by indexing a sucha  "plain" Oracle table with the JChem Cartridge.

I'm not a Rails expert (some of my colleagues may have additional tips), but I hope this helps as a general information.

Best regards,

Szilard