Getting Started With JChem

I've overcome some installation difficulties and have been spending time reading through JChem documentation to learn how to use it. The documentation seems to be aimed at an individual with cheminformatics experience and access to a GUI, neither of which I have.

1) I have an SDF that I would like to import to the system, but it seems that I need to have a database table structure already defined for this to be possible. Is this the case?

2) Is it possible for JChem to custom-build a table structure to match the contents of an SDF? If not, what would be the best way to open the SDF and inspect its contents so that I can build the required file? Would Instant JChem be a good choice here?

3) Since I have no access to the GUI, this step in the JChem admin guide is not available to me: https://www.chemaxon.com/jchem/doc/admin/#create Will I instead have to build the SQL CREATE statement by hand? Note: I am using MySQL

Thanks for your help,

-John David

Ok, I might be making some headway.

I've learned how to use Instant JChem to import SDF files into the native JChem format. My next step is to create a MySQL table and user and get Instant JChem to connect to this table. I've succeeded in establishing the connection, but it seems that Instant JChem expects that the table JCHEMPROPERTIES be present. I'm assuming that this table can be created using the JChem Base tools, but I'm not 100% sure.

Any ideas?

Thanks,

-John David

Ok, nevermind :)

I believe I've got things sorted out for now. With Instant JChem alone I've been able to set up and import a database that will accept SDF data.

John,

I hope you have things figured out.  Please continue to use the forum for further questions.

 

Thanks,

Jonathan Lee