If you have followed the download instructions for Oscail then there should be an Oscail Icon on the desktop and two folders on the c: drive, c:\shelx and c:\ortex and you should put the folders for jobs you wish to work on with Oscail into one of these folders.
Avoid spaces or dots in jobnames and while up to 50 characters can be used for the jobname, shorter jobnames of say 8 characters or less are better.
Make file extensions visible in Windows to allow easier file selection.
When you double click the Oscail icon for the first time it should open
and have the jh21 job loaded
Click the Ortex defaults button to run Ortex
jh21 is (o-tolyl)3As=O.H2O
and for example to check its hydrogen bonding press "p" twice and press "enter"
four times to select defaults and you should get
Close the Ortex window by cliicking the top right corner twice to return to Oscail. In Oscail click Edit / Edit.GEO to open the geometry file.
The contacts are analysed and an estimate of the H-bond energy is given.
To learn more about Oscail you can look for a tutorial that may be close to what you want or Oscail help may be useful.
Download / Install Instructions for Oscail and
Moilin (To install Moilin alone use steps 2, 3 and 4
only and restart PC)
Download oscail.msi, moilin.msi, ritnos.msi and tutorial.msi from here
1 - Run oscail.msi (Do not change the installation folder, use defaults and ignore restart)
2 - Tinker 7.1 files - Create a folder c:exem for the Tinker files.
You can download the Tinker files from here (32) / (64) and place the extracted files in /exem
You can also get the files from the Tinker web page http://dasher.wustl.edu/tinker/distribution/params/ if you do
the latter then you should also save mm2.prm and mm3.prm into /exem
3 - Firefly - If you wish to use Firefly put Firefly files into exe
4 - Run moilin.msi - (use defaults and ignore restart )
5 - Run ritnos.msi - (use defaults)
6 - Install tutorial.msi - (use defaults and restart )
Pixel - Download Pixel from
Expand/extract the files to c:\clp so that the exe files are in c:\clp\exe etc.
Oscail will use the pixpar.par file from c:\clp\doc\pixelc
If you wish to use the file clppar.par then put it in the current folder.