Dragon project

Project files can be created when a new work session starts with the aim to collect all the results of descriptor calculation and make them available later for further analysis. Project files are tabbed files with extension .drp.

 

The user can load a Dragon project file containing molecular descriptors previously by clicking the 'Load project' item in the menu 'File' of the main menu bar.

 

To save a Dragon project file click the 'Save project' item in the menu 'File' of the main menu bar, after a work session has been started and molecular descriptors calculated for one or more molecules.

 

Note that, when a project file has been created, then every change produced in the same work session will be automatically stored in the actual project file. When a project has been loaded, only analysis of molecular descriptors stored into the project can be carried out. Calculation of new molecular descriptors, even for the same set of molecules, will cause downloading the actual project and starting a new work session.

 

Actions allowed after uploading of a project file:

view descriptors;
analysis of descriptors (calculation of basic statistics, pair correlations, principal components);
add new external variables (the previous ones will be discarded);
export of different selections of molecular descriptors.