7.7 Molecule information
VEGA ZZ can calculate many information about the molecule in the current workspace: total number of atoms, number of heavy atoms, number of residues, number of contained molecules, number of water molecules, molecular weight, coordinates of geometric center, coordinates of mass center, approximate dimensions, total charge (calculated using the atomic charges), dipole, surface area, surface diameter, volume, volume diameter, ovality, Crippen's logP (A.K. Ghose, A. Pritchett , G.M. Crippen, "Atomic Physicochemical parameters for three dimensional structure directed quantitative structureactivity relationships III: Modelling Hydrophobic Interactions", J. Comput. Chem., Vol. 9, 8090 (1988)) and lipole, Broto's logP (P. Broto, G. Moreau, C. Vandycke , "Molecular Structure: perception, autocorrelation descriptor and SAR studies", Eur. J. Med. Chem., Vol. 19, 7178 (1984)) and lipole, Virtual logP, polypeptidic charge, amino acidic or nucleotidic composition.
Selecting View Information from the main menu, the VEGA ZZ shows a dialog box in which it's possible to set the probe radius for surface calculations and the maximum number of allowed atoms for timeexpensive calculations (e.g. volume, surfaces, Virtual logP, etc). To perform all calculations, you must click Calculate button or select Calculate item from File menu.
7.7.1 The menu bar
The menu bar functions are summarized in the following table:
Menu  Item  Accelerator  Description 
File  
Save as ...  Ctrl+S 
Save the calculated properties in a text file 

Ctrl+P  Print the results.  
Calculate  Ctrl+A  Perform the calculation.  
Close    Close the window.  
Edit  Copy  Ctrl+C  Copy the highlighted results to clipboard. 
Copy all    Copy all results to clipboard. 
WARNING:
Any change to the probe radius field has effects on surface calculations only and not on the volume.