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 )
Download Pixel-Clp from http://www.angelogavezzotti.it/Public/main2.htm
Oscail works with the version of PIXEL validated June 2018
Expand/extract the folders and files to c:\clp so that the source
files are in c:\clp\source etc.
If you do not have the ability to compile the source files using Gfortran you
can download the zipped exes
Oscail requires bat files which you should put in the batch folder. You
can get them from
here.
Oscail will use the pixpar.par file from
c:\clp\doc\pixelc