The following instructions describe how to use MychemAdmin.
The main window of MychemAdmin looks like:
The main window is composed of two parts:
The top half of the window is taken up by the database management. It's composed of a terminal displaying informations about the database and a button.
The second part is reserved for chemical file loading. It contains a dialog logging informations about the load process and a button for choosing the file to load.
First of all, you need to connect to the database. Click on the button for opening the setting dialog:
- Host
the host where's the database running
- Login
a user that can access the database and create tables
- Password
a password for that user
- Database
the database where the tables will be created.
When all fields are filled, click on the button. If the connection is successful, the dialog is closed. In the other case, an error message is displayed and the dialog stay open, letting you to correct the parameters.
Once you are connected to the database, you can load a chemical file. Click on the button and select the file to load. When you have choose the right file, click on the button. The progress of the load process is displayed in the terminal.
Four tables are created:
filename- the main table is named like the uploaded file. It contains a unique id and a name for each molecule.filename_inchi - contains the InChI code of each molecule and a reference to `filename`.`id`.filename_mol - stores the MDL Molfile of each molecule and a reference to `filename`.`id`.filename_fp - contains the fingerprint data and a reference to `filename`.`id`.