support for jchem tables with pg cartridge?

Hello,

Double checking that the postgres cartridge does not have any access to jchem tables stored in a postgres db (aka tables created to work with JChemBase jars and programs).

As you know, the oracle cartridge has access to both plain tables and jchem tables.

We have a third party program that only works with JChemBase on postgres, but in this system, structures start off in a pg cartridge table.

Thanks.

Hi,

You are right JChem Base tables are not supported by JChem PostgreSQL Cartridge (JPC).

If you would like to use both JChem Base and JPC in postgreSQL database you need to duplicate the chemical structure data.

JPC has a special column type the molecule type to store the structures and execute chemical searches on this type. If you would like to use the molecules from an other (eg JChem Base) table I would suggest to do the following:

1) Create new table for JPC with one molecule type column eg. molstruct.

2) Copy structure data from JChem Base table to the new table molstruct column.

3) Create a trigger to update data in JPC table if structure are modified or added.

4) Create chemical index on the JPC table

 

An other idea, to ask the third party program provider to provide cartridge or web service interface.

What do you think?

Thanks. That was our backup plan.

The vendor will not support the cartridge on postgres.