Notes for MolGUI-0.1.0-14.11.22_​Ubuntu_​14.04_​x86_64

Software requirements

Installation

To install the .tgz package, run:

$ tar xzf MolGUI-0.1.0-14.11.22_Ubuntu_14.04_x86_64.tgz
$ cd MolGUI-0.1.0-14.11.22_Ubuntu_14.04_x86_64
$ ./install

Configuration

Open the icon in the desktop if you installed it. If you have Molcas, you can also run:

$ molcas MolGUI

or, from the MolGUI-0.1.0-14.11.22_Ubuntu_14.04_x86_64 directory:

$ ./MolGUI.exe

Select the menu entry Setting > Environment Settings and set the paths and commands.

A copy of MOPAC2012 and a free password are provided (subdirectory MOPAC in the extracted package), you can set them in the settings dialog. Please check the MOPAC homepage (www.openmopac.net) for more information.