​​The Cambridge Crystallographic Data Centre (CCDC).
The CCDC websites use cookies. By continuing to browse the site you are agreeing to our use of cookies. For more details about cookies and how to manage them, see our  cookie policy.

Mogul / MOE Interface Setup Instructions

Solution

The proper way of linking Mogul to MOE would be through the Mogul setup panel.

Here are the steps:

1- Start MOE.

2- Build a small molecule

3- Select a dihedral

4- In the MOE menu, choose MOE | Compute | Conformations | Mogul Analysis

5- Press the gear icon and browse to Mogul binary:

%USERPROFILE%\CCDC\ccdc-software\mogul\mogul.exe

6- Specify your MOGUL options ("include bond lengths", "include bond angles", etc..).

7- Press OK to close the configuration panel

8- Press RUN to see the Mogul plot

 

If this does not produce a Mogul plot, please try to run Mogul by clicking on the desktop icon or Start Menu icon (Windows) to verify that it is properly installed and that the licence is activated.