The 'Export descriptors' window can be opened by clicking 'Export' in the 'File' menu or the corresponding shortcut in the tool bar. It enables only after having calculated molecular descriptors and allows storing them into an output ASCII file.
This window is divided into two tabs.
In the first tab (Descriptor selection), the user can:
In the second tab (Options), the user can select the export options.
The button 'Add external variables' at the bottom right of the window becomes active when there are external variables previously loaded. Clicking it, a window opens where the user can check the variables to be saved in the same file as the selected molecular descriptors.
Once variables and options have been selected, the 'Save' button opens a command dialog window, which enables the user to specify the output file name and where to store it. Note that the file name can be given with the desired extension.
As an example, if we want to save the first three descriptor blocks in three separated text files, we must:
The following output files (each storing only the descriptors of the corresponding block) will be generated: