Downloads

Oscail Version 6 2023 
Windows Software for Crystallography and Molecular Modelling from 
 University of  Galway 
This software is FREE to ACADEMIC users. 
Commercial users must obtain permission for its use.

N.B. If you have Oscail Version 5 on your PC please remove Oscail, Moilin, Ritnos and Oscail_Tutorials using the Control Panel / Programs and Features and delete c:\exe before installing Version 6
Oscail Version 6 now includes Moilin and Ritnos - Moilin can be installed on its own

Install Instructions for Oscail and Moilin

1 - Run oscail.msi or moilin.msi
       You may need to work around SmartScreen filter, choose more info and run anyway. 
2 - Tinker files - Create a folder c:exem and place the files from tinker_64.zip  (or tinker_32 .zip) in c:\exem 
        Tinker can also be obtained from  http://dasher.wustl.edu/tinker/ in that case
        mm2.prm and mm3.prm are also required in exem 

3 - Run tutorial.msi - (and restart the PC)
4 - Version 10 of Microsoft MPI is required for Orca 5 download from here
5 - Ensure that the location of mpiexec.exe (usually c:\program files\microsoft MPI\bin\) is in the Path after installation.
6 - Add c:\oscail\bin to the windows path 
7 - UCSF Chimera can be used for MO orbital plots with Mopac Iconc and Orca / MultiWFN 
8 VMD is required for TOPMOD type plots, download from here 

Pixel -
      The Pixel files are included with Oscail.
      Orca and Multiwfn can be used for electron density calculation
      they must be installed in c:\orca and c:\multiwfn
      set the environmemnt variable multiwfnpath to c:\multiwfn
      There is a tutorial describing the installation and use of PIXEL included in the crystallography tutorials

Castep
     A tutorial describing the installation of Castep in the win10/win11 WSL(Windows Subsystem for Linux) is included in the crystallography tutorials.
     Oscail can be used to generate input files for Castep avoiding the need for Materials Studio.

Oscail and Moilin will run Orca version 5.0 if the Orca files are in c:\orca\
Orbital plots can be easily generated using Moilin Orca Multiwfn and Chimera
See Moilin tutorials for further details.   

Firefly (formerly PC-Gamess)  
Copy and rename firefly820.exe to firefly.exe and put it together with all the DLLs into c:\oscail\bin.