8.2 Database explorer OpenGL

The Database explorer is a simple tool useful to manage the databases, allowing some basic operations that can be classified in two main groups: the first one includes the database operations (open, close and close all) and the second one includes the molecules management functions (put, get, update, rename and delete).
The Database explorer is showed automatically when the database is opened with the Open/create file requester or selecting File -> Database -> Explore main menu item.

The left box shows the gadgets for the database management: the Database list to select the current database, the Open button to open/create a database, the Close button to close the selected database and the Close all button to close all databases.
The right box includes all controls for the molecule data manipulation. To extract a structure from the database you must select one or more molecules in the Molecule list (the multiple selection is permitted), choose the Get mode in order to add/replace the molecule in the current workspace or to place the molecule in a new workspace, and finally click the Get button. Instead of the Get button click, you can double click the molecule name and it will be extracted automatically. The Next and Previous button are useful for the database scanning, because they allow to get sequentially the structures in the database.
To insert a molecule in the database, you must open its structure in the current workspace and thus click the Put button: a dialog box will be showed to specify the name of the molecule. Clicking the Ok button, the molecule will be added into the database using the default parameters (molecule format, compression, connectivity and constraints) defined when the database is created.
A structure in the database can be updated selecting it in the molecule list and clicking the Update button. This structure will be replaced by the molecule in the current workspace.
A molecule in the database can be renamed, selecting it and clicking the Rename button, but remember that the molecules included in a Zip file can't renamed.
In similar way, a molecule can be removed from the database selecting it and clicking the Remove button. The multiple selection is allowed.
The Update button is useful to force the update of the molecule list when the database was changed by another application.
The Done button closes the Database explorer.

 

Important note:
The database list is shared with the Add Fragment dialog. The fragment libraries are databases in zip format and so they appears in the database explorer. You can do all operations but not close theirs.