Database sharing / transfer

I started to learn the Instant JChem concept, although it seems to be wonderful tool, the concept is not entirely clear (at least for me). One perhaps silly question from a newbie here: I created a Database within a Project and now I would like to send it to someone else with the intention that he sees the same I do. I understand that there are various files in the "data" directory. What collection of files is required to pack/send to achieve the same performance elsewhere (the recipient has installed the same IJC version, indeed) ?

What you need to do is send the complete project directory (probably called ijc-project) to your colleague. It's probably best to compress this into a zip file to reduce it in size and convert all the contents to a single file.





Then your colleague should be able to unzip the file, open the project in Instant JChem (File-> Open project...) and should see an identical copy of what you had.





Let me know if you have any problems.





Also note that we are currently working on providing a way to directly share a single copy of data, with the aim that you will be able to share data in a networked database (Oracle or MySQL). This feature will require an Instant JChem license.








Tim

One other thought on this.


If your data was just in a single table you could export it to a file (SDF or MRV formats woudl be best) and send that to your colleague to import.





This would not be as complete as copying the complete project, but it might serve some purposes, and the file size would be much smaller.





Tim

Hi,


I didn't want to start another topic. My case is related to the above. I am creating a ligand database on local machine, but my intention is to put this base on the server after it's finished. It came through my mind that it is wise to ask if conversion of database from Derby to MySQL and instalation of this database can be done with tools provided by Jchem package? I don't want to spend days rewriting whole thing again.


My another question concerns academic license - can I use and install MySQL database on local server in my laboratory, so that all users could use it via web-based version of instatnJchem, without installing clients on their computers. Of course it would be for local use only.


Thank You in advance


Regards


Anna

Quote:

ask if conversion of database from Derby to MySQL and instalation of this database can be done with tools provided by JChem package

No, there is currently no way to directly transfer data from one database to another. We would like to add this feature at some stage, but currently your only option is to export the data from one DB and import it into the other DB, which would only work well for very simple DBs.

Quote:

My another question concerns academic license - can I use and install MySQL database on local server in my laboratory, so that all users could use it via web-based version of instatnJchem, without installing clients on their computers

The use of a MySQL database requires an Instant JChem enterprise license, but you can request one free of charge under the terms of the academic program.


http://www.chemaxon.com/forum/ftopic193.html


The terms of the academic license would apply to you and all the users of the system.





If you are wanting to update the information in the DB then using a shared MySQL database is certainly the way to go. Getting your users to access IJC through the Java Web Start version would provide easy access to the program and will simplify installation.


You can access the Java Web Start version at ChemAxon here:


http://www.chemaxon.com/instantjchem/ijc_latest/jws_stable.html


or you can set it up on your own server using these instructions:


http://www.chemaxon.com/instantjchem/ijc_latest/jws_deploy.html





If you wanted to distribute a snapshot of the database then you could potentially distribute copies of the local Derby database to all your users, but this approach is somewhat limited as all work each user has done will be lost if you provided an updated version.





The options for distributing shared information will be significantly improved in IJC 2.3, which should be available soon. See this forum topic for an idea of what is new:


http://www.chemaxon.com/forum/viewpost15998.html





Tim

Quote:

My another question concerns academic license - can I use and install MySQL database on local server in my laboratory, so that all users could use it via web-based version of instatnJchem, without installing clients on their computers. Of course it would be for local use only.

Yes this will be fine but do note that the applicant needs to update the academic package application with ChemAxon cited articles to extend the research use license beyond 2 years. For teaching there is no need to add citations (tho please do if you have). For citation guidance see this post

Hi Chemaxon team,

I am wondering if one can use the Services/IDE for keeping a local derby database and an Oracle server IJC database in sync?

Would it be possible to make database connections to each?

And retrieve data from the Oracle instance for inserting them into the local derby database via SQL?

 

Cheers, Robert

Robert,

I have been experimenting with just this sort of thing as I think there is a very big need for this.

There are potentially a number of possible ways to achieve this, and I have tried a couple:

1. using ETL tools to transfer data from oracle to the derby database

2. using derby's table functions to allow it to connect to tables from other databases (so that you can select data from Oracle directly within Derby)

Both approaches seem to work and can be used to transfer data from Oracle to Derby.

However there is one significant problem. JChem tables are supposed to be managed through the JChem API not directly through SQL. So although I think I have worked out the tricks to make this work it cannot be considered a recommended or supported approach.

If you want more details then let me know. But bear in mind the above warnings.

 

Tim

 

Hi Tim,

thanks for the quick answer. I will follow your recommendation (warnings) and avoid syncronization via pure SQL. If burden of manual exporting and importing sd files between server and local database gets to high, the most suitable way to go is probably using the JCHEM API.

Have fun!

Robert

Hi Robert,

Just to clarify, synchronisation of standard tables will not be a problem. Only the JChem tables are of concern as these should be managed through the JChem API not through SQL.

I hope to be able to provide a more complete solution at some stage in the future, as I think this is an important feature for IJC.

Tim